data_2n46_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 2n46 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.479 ' N ' HD21 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.455 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.432 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' C ' HD21 ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HB ' ' HE2' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' ARG . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.742 HD22 ' HB3' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.486 ' HG2' HG22 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.742 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG21 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG21 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.45 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.622 HD22 ' HB3' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 HG21 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HG3' HG21 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.445 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 21.6 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.414 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.448 ' HG2' HG21 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.448 HG21 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' HG21 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.454 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.454 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 17.4 pm0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.465 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' HG21 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.456 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 130' ' ' ALA . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 125' ' ' VAL . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.555 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.7 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.6 ' O ' HG22 ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.52 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 1.3 t-20 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.625 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.445 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.625 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' HD21 ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.823 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.444 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 99' ' ' GLN . 17.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.465 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.42 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.42 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.823 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.449 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.662 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.662 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.909 0.385 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.453 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.404 ' HA ' HD12 ' A' ' 84' ' ' ILE . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.433 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.6 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.453 HD12 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.488 ' HB2' HG22 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HG3' HG21 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.721 HD12 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.721 ' HB3' HD12 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.461 ' HB2' HD21 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' HB3' HD12 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.423 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.446 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 159' ' ' LEU . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 156' ' ' PHE . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.458 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.741 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.482 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HB2' HE21 ' A' ' 70' ' ' GLN . 14.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.432 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.414 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.414 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.417 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.494 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 40' ' ' TYR . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' HD12 ' A' ' 24' ' ' ILE . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.556 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.401 HD13 ' HD3' ' A' ' 123' ' ' ARG . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.438 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.401 ' HD3' HD13 ' A' ' 84' ' ' ILE . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.401 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.408 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.4 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.4 HG21 ' HG2' ' A' ' 147' ' ' LYS . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.556 HD22 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.555 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 111' ' ' MET . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.421 ' HB2' HD21 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.427 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.476 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.427 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.431 ' HG2' HG21 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.431 HG21 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.555 HD12 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.411 ' HB3' ' HZ ' ' A' ' 90' ' ' PHE . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.414 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.508 HD12 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.411 ' HB2' HD21 ' A' ' 113' ' ' LEU . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 90' ' ' PHE . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB2' HE21 ' A' ' 95' ' ' GLN . 16.6 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.437 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.583 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 80' ' ' CYS . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 117' ' ' LYS . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.423 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.449 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.425 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.425 HG21 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD23 HG22 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.424 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.566 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.445 ' HA ' ' HE2' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.405 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.416 HG22 HD23 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.424 HD12 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' HD2' ' A' ' 16' ' ' LYS . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD2' HG12 ' A' ' 8' ' ' VAL . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.432 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.405 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.473 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.405 ' HB3' ' HZ ' ' A' ' 90' ' ' PHE . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . 0.556 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.432 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.422 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.433 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.427 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.658 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.418 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.418 HG21 ' HG2' ' A' ' 147' ' ' LYS . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.658 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' HB2' HG21 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' A' ' 16' ' ' LYS . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 83' ' ' ALA . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' A' ' 8' ' ' VAL . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG11 ' A' ' 152' ' ' VAL . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' ILE . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 20' ' ' THR . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.836 0.351 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HD3' HD22 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.458 HD22 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 14' ' ' VAL . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB3' HD21 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.442 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.421 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.421 HG21 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 19' ' ' LEU . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.432 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.683 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.429 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.454 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.442 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.454 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' THR . . . . . 0.447 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.462 ' HG2' HG21 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' THR . . . . . 0.462 HG21 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . 0.447 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . 0.683 HD12 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HD3' HD22 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD22 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.491 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 129' ' ' GLN . 19.4 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ILE . . . . . 0.454 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.551 HD22 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.479 ' N ' HD21 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 HG21 HG11 ' A' ' 29' ' ' VAL . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.455 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.455 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.463 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 -154.19 151.75 29.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.06 110.43 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.449 HG11 HG21 ' A' ' 21' ' ' ILE . 65.2 t -133.86 134.56 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -172.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.2 m-20 -105.47 -13.68 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' ASP . 88.9 tt0 -38.33 134.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -99.06 139.5 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.613 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 46.6 p30 -69.36 162.75 64.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.613 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.2 Cg_endo -65.15 169.13 12.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -71.18 -4.76 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.96 165.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.114 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -43.54 147.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -108.47 160.01 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.17 146.52 37.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.496 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 65.57 86.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.567 ' H ' ' CD ' ' A' ' 61' ' ' GLN . 20.4 mp0 -53.7 -55.29 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -174.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.33 -32.81 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -75.18 -2.49 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -68.19 75.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.4 p -81.66 -178.33 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.86 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.72 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.62 -33.42 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -92.41 -26.39 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.8 -22.99 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -47.49 -38.27 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.432 ' HB3' ' HD3' ' A' ' 104' ' ' LYS . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' C ' HD21 ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.4 ' O ' ' HG2' ' A' ' 101' ' ' LYS . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.405 ' HB ' ' HE2' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 97' ' ' ARG . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.742 HD22 ' HB3' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.486 ' HG2' HG22 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.742 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.551 ' CE2' HD22 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.486 HG22 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG21 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG21 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.415 ' HB3' HG22 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.413 HG21 HG11 ' A' ' 29' ' ' VAL . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.42 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -155.11 154.26 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -69.69 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.972 174.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 HG11 HG21 ' A' ' 21' ' ' ILE . 95.0 t -139.81 134.45 37.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -175.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -106.56 -15.87 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -39.97 130.5 2.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.0 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.85 147.52 27.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.572 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -62.7 161.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.931 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.572 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 49.2 Cg_endo -65.18 176.82 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.306 177.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.5 p -63.42 -11.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -117.12 165.08 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -56.86 160.48 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p -101.39 160.31 14.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.33 133.86 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.508 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 75.0 98.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -175.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -51.03 -56.63 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.5 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.965 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.508 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.9 mt-10 -63.49 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -177.432 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -69.0 75.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.019 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.7 p -94.36 -168.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.15 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -62.87 -33.02 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.14 -16.44 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.4 -19.07 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -47.62 -36.34 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.45 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.45 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.463 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.622 HD22 ' HB3' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.417 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.401 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.401 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.402 ' HB2' HG12 ' A' ' 139' ' ' ILE . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.402 HG12 ' HB2' ' A' ' 137' ' ' TYR . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.463 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.622 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.415 HG22 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 HG21 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HG3' HG21 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG21 HG11 ' A' ' 29' ' ' VAL . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.445 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -153.0 148.96 27.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.89 117.51 15.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 HG11 HG21 ' A' ' 21' ' ' ILE . 83.5 t -138.09 136.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -167.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.6 m-20 -110.05 -9.04 14.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 173.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ASP . 43.7 tp10 -38.03 117.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -89.78 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.561 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -60.08 161.36 12.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 37.5 Cg_endo -61.79 173.08 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 175.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.1 p -62.55 -12.58 23.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -114.74 165.41 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.126 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 21.6 pm0 -55.23 159.6 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.575 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -96.86 161.98 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.96 129.36 25.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.612 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 74.94 114.39 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -57.12 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -33.9 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.612 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -63.81 -27.17 69.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -69.73 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 172.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -94.92 -167.83 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.93 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -61.76 -33.71 74.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -95.6 -14.43 23.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.858 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.42 -19.34 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -47.41 -38.15 12.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.517 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.41 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.408 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.414 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.408 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.41 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.517 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.414 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.422 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.448 ' HG2' HG21 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.448 HG21 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.497 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.445 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HG3' HG21 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' A' ' 26' ' ' ASN . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 22' ' ' GLN . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -157.95 145.25 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -84.96 117.05 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.2 108.54 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -87.75 4.39 44.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -38.56 127.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -113.68 144.01 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -140.42 106.29 6.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 110.823 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.78 138.48 23.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.576 2.184 . . . . 0.0 112.369 -172.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m 67.71 13.37 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 170.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -134.33 115.06 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.125 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.88 156.89 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -133.52 170.41 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.61 127.07 35.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.25 37.42 3.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.524 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -99.33 158.41 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.64 -30.46 68.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -95.75 11.71 32.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -42.4 143.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -88.98 142.73 27.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -164.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.67 -26.79 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.8 -23.31 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -102.29 -27.86 12.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.42 -34.85 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 176.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -58.08 -35.23 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.454 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.454 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.412 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.424 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.424 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 51' ' ' CYS . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.51 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.571 ' H ' ' HA3' ' A' ' 60' ' ' GLY . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.526 ' HB1' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -156.24 139.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.85 115.96 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.26 107.48 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -171.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -82.05 5.51 19.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -37.94 127.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -110.35 141.48 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -138.28 107.83 8.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -74.14 132.92 17.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -170.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m 65.81 9.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -128.5 121.49 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 17.4 pm0 -72.16 158.7 35.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.465 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG21 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' HG21 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p -131.44 167.59 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.35 122.18 20.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.571 ' HA3' ' H ' ' A' ' 10' ' ' GLY . . . -89.9 19.98 38.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 168.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.46 153.95 18.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.44 -25.25 65.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.2 3.55 23.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.888 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -41.35 140.12 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -104.97 155.58 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -165.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -53.11 -27.92 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 164.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.24 -24.79 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -97.93 -35.57 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.481 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 95.2 m-20 -57.0 -32.75 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -57.05 -34.99 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.51 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.419 ' HB2' HD21 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.42 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.526 ' HA ' ' HB1' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.441 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.419 HD21 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.456 ' HA ' HD11 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.406 ' HB3' HD13 ' A' ' 84' ' ' ILE . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 130' ' ' ALA . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.409 ' HB3' ' CG1' ' A' ' 125' ' ' VAL . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.434 ' HB2' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.42 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.555 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.603 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.7 t-80 -154.93 151.97 29.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -81.88 115.95 21.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -129.59 130.42 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -103.64 -20.26 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -40.87 135.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -91.93 131.85 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.3 p30 -69.21 170.6 8.51 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.571 0.701 . . . . 0.0 110.859 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 69.7 Cg_exo -54.96 156.89 14.34 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p -67.65 -12.12 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 pt -109.0 161.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -54.02 141.68 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.603 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.555 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m -115.26 136.05 53.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.62 139.95 29.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.67 101.92 2.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.537 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -84.8 13.22 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 110.835 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -83.75 -50.06 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -97.27 -5.83 35.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -45.4 115.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.0 p -144.78 -170.91 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.49 -24.66 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.088 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -60.46 -33.39 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -90.93 -29.83 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.25 -28.01 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -57.24 -34.27 68.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.463 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.52 ' HB1' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.6 ' O ' HG22 ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.52 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 1.3 t-20 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.625 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.445 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.448 ' CG2' HG23 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.52 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.464 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.625 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.445 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.48 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.455 HG21 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' HG3' HG21 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.414 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -155.69 152.51 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -80.07 116.79 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.98 125.52 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 -171.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.28 -19.83 13.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -40.56 133.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -89.91 133.13 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.533 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.7 p30 -69.9 171.17 7.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.607 0.717 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.533 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 77.7 Cg_exo -54.95 160.61 7.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -64.84 -15.11 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.78 160.0 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -56.44 142.05 40.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.477 ' C ' HD21 ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -114.07 137.99 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.64 148.71 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.26 97.44 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.537 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 -89.8 29.46 1.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.47 -47.41 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.56 -3.19 40.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.973 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -49.58 109.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.9 p -135.16 -166.74 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.1 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -60.22 -31.04 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -92.81 -27.08 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -57.28 -25.55 59.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.93 -34.45 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.823 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.444 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.475 ' HB2' ' HB1' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.414 HE21 ' HB2' ' A' ' 99' ' ' GLN . 17.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.465 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.465 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.42 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.444 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.42 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.414 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.823 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.449 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' HG3' HG21 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.662 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.421 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 -157.48 151.82 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -79.03 116.62 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.83 130.11 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -168.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -105.47 -19.27 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 171.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -39.87 135.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.08 127.79 35.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.532 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.4 p30 -67.95 171.58 5.32 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.532 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 71.5 Cg_exo -54.27 159.47 7.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.9 p -69.07 -11.34 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -111.75 165.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -55.05 148.93 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.662 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.459 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m -106.93 134.73 49.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.16 150.26 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.47 99.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -91.77 30.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -92.99 -50.21 5.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -97.45 -7.13 32.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.0 100.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -131.83 -157.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.41 -30.88 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -93.06 -22.2 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.93 -21.45 63.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.14 -38.8 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.453 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.526 ' HB2' HD21 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.466 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.472 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.472 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.526 HD21 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.404 ' HA ' HD12 ' A' ' 84' ' ' ILE . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.41 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.6 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.491 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.423 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.453 HD12 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.488 ' HB2' HG22 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 HG21 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HG3' HG21 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.721 HD12 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.446 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 -155.19 153.0 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -80.63 111.86 17.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.52 131.8 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -103.67 -15.3 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.04 134.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -95.43 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.597 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 49.5 p30 -63.77 162.48 28.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.597 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.6 Cg_endo -62.43 167.15 11.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -67.72 -9.93 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 pt -106.3 159.92 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.89 150.37 24.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.721 ' HB3' HD12 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m -111.24 140.45 45.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.72 147.97 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.22 93.83 0.27 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.564 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.419 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 99.6 mm-40 -88.97 -7.35 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -38.15 89.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' SER . 98.3 mt-10 -91.12 -5.3 55.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.488 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.6 t80 -35.3 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' GLU . 91.2 p -128.12 -172.45 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.449 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -54.19 -22.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 173.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -59.7 -32.55 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.488 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 63.3 mtt85 -90.12 -37.99 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 96.7 m-20 -57.89 -35.19 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.19 -34.97 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.488 HG22 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.461 ' HB2' HD21 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG23 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' HB3' HD12 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.581 ' O ' HG22 ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.629 ' HB3' ' HB1' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.504 HD12 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.419 ' CE1' ' HG3' ' A' ' 61' ' ' GLN . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.521 ' CG1' HG23 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' A' ' 82' ' ' PHE . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.463 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.423 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.415 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.446 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 159' ' ' LEU . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.404 ' HB3' ' O ' ' A' ' 156' ' ' PHE . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HG3' HG21 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.5 ' HG2' ' HA ' ' A' ' 28' ' ' PHE . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.741 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -160.14 149.85 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.5 ' HA ' ' HG2' ' A' ' 22' ' ' GLN . 57.6 t80 -81.48 105.12 12.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.7 125.94 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -99.66 -22.5 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.02 133.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -85.89 130.06 34.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.536 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 44.8 p30 -68.22 171.65 5.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.581 0.705 . . . . 0.0 110.875 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.536 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 72.9 Cg_exo -55.09 161.8 6.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.402 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -64.61 -14.25 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.02 167.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -61.63 150.97 34.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.741 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.482 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p -120.41 162.74 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.05 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.06 95.0 0.14 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -61.84 -27.36 68.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.0 -39.92 79.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.01 -37.12 69.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.9 t80 -42.54 95.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 171.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -135.08 -167.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.0 17.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.077 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.556 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 97.0 mtt180 -94.48 -20.51 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.15 -30.01 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 167.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' HB2' HE21 ' A' ' 70' ' ' GLN . 14.9 mt-30 -61.82 -40.39 95.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.452 ' HB2' HG23 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.432 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.414 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.417 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.414 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.432 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.446 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.446 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.417 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.494 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.511 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.496 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.405 HD12 ' HB3' ' A' ' 40' ' ' TYR . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -130.97 153.81 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -99.96 110.35 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.7 t -115.95 105.42 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -99.19 87.3 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.793 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -166.62 170.51 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -94.33 122.41 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -129.69 89.33 46.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.836 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.36 140.17 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.411 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.6 p -149.26 -179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.806 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 82.6 mt -141.42 116.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.197 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 57.34 69.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.405 ' HB3' HD12 ' A' ' 24' ' ' ILE . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -79.12 170.78 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.472 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.6 139.52 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.96 -15.69 36.69 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 171.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.23 117.35 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.299 . . . . 0.0 110.83 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.511 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 15.3 pm0 -68.19 -17.37 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' TYR . 75.2 mm-40 -83.09 -0.33 48.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLU . 20.6 p90 -33.82 133.89 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -94.94 -166.42 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.93 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.098 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -58.7 -32.24 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.19 -20.02 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.33 -20.49 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -46.93 -37.43 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.556 ' HA3' HD22 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.401 HD13 ' HD3' ' A' ' 123' ' ' ARG . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.428 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.438 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.401 ' HD3' HD13 ' A' ' 84' ' ' ILE . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.401 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.438 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.408 ' HA ' HD22 ' A' ' 19' ' ' LEU . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.4 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.4 HG21 ' HG2' ' A' ' 147' ' ' LYS . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.556 HD22 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -123.94 152.31 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -101.43 109.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.9 105.18 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -173.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -103.96 88.21 2.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -172.8 177.32 2.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -99.35 124.6 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -129.97 91.05 40.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.67 137.89 11.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -153.84 -170.34 3.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 13.8 tt -158.5 130.29 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 53.79 64.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p -82.67 169.01 16.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.93 139.39 22.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.25 -13.3 48.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 168.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -86.59 121.0 28.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -68.29 -17.04 64.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.2 mt-10 -80.12 -7.67 59.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLU . 11.0 p90 -34.23 132.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 t -99.95 -162.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.841 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -24.73 57.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -57.81 -31.86 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.01 -20.06 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.67 -18.56 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -46.51 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 173.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.555 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 111' ' ' MET . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.421 ' HB2' HD21 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.483 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.483 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.421 HD21 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.427 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.476 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.427 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.431 ' HG2' HG21 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.431 HG21 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.555 HD12 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB3' ' HB3' ' A' ' 33' ' ' ASP . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -123.68 164.55 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.43 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 4.3 m-30 -111.69 112.52 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 173.211 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.54 106.51 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -104.86 83.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -174.92 176.78 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -94.84 122.96 38.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.45 ' HB3' ' HB3' ' A' ' 18' ' ' ALA . 67.2 t0 -138.24 89.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.86 143.24 16.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 0.0 112.368 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -144.17 -173.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 tt -160.01 130.48 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 53.23 61.3 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -90.26 170.75 10.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.563 ' HB1' ' HB3' ' A' ' 64' ' ' TYR . . . -50.91 134.23 25.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.17 -5.77 49.95 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.534 170.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -100.41 126.38 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.983 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.99 -16.3 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.7 mt-10 -72.12 -9.99 59.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.563 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 27.9 p90 -33.48 132.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -95.1 -168.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -19.51 47.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.1 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.98 -31.75 69.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.95 -20.03 23.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -62.84 -18.66 63.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -44.75 -38.41 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 173.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.508 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.419 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.419 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.411 ' HB3' ' HZ ' ' A' ' 90' ' ' PHE . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.414 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.402 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.402 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.508 HD12 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.422 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -128.45 153.07 47.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -98.79 107.5 19.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.17 118.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -173.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -107.3 93.59 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.57 -179.99 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -106.88 129.71 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -139.96 87.51 12.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.631 0.729 . . . . 0.0 110.846 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.59 144.09 22.1 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 t -146.77 -170.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 tt -158.45 129.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 52.32 60.93 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.466 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -86.29 174.96 8.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 64' ' ' TYR . . . -50.23 135.2 21.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.051 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.05 -11.6 32.68 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.518 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -84.37 123.11 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.939 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 pm0 -65.22 -18.77 65.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -83.83 -3.05 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -175.102 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' HB3' ' HB1' ' A' ' 59' ' ' ALA . 24.3 p90 -33.35 132.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -95.06 -167.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -169.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.94 -19.53 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.146 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.0 mmm -58.21 -31.69 67.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.93 -20.04 23.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.73 -19.27 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -46.61 -37.94 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.437 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.411 ' HB2' HD21 ' A' ' 113' ' ' LEU . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.498 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.498 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.404 ' HD1' ' HA ' ' A' ' 90' ' ' PHE . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.435 ' HB2' HE21 ' A' ' 95' ' ' GLN . 16.6 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.437 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.473 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.583 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.473 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 80' ' ' CYS . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.402 ' O ' ' HB2' ' A' ' 117' ' ' LYS . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.423 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.449 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.425 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.425 HG21 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD23 HG22 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.451 HD12 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -127.43 158.52 37.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -100.23 113.54 26.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -115.92 104.73 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -106.04 86.56 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -174.41 177.6 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -107.92 132.29 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -134.67 91.07 21.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.857 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -76.84 137.6 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.389 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 84.4 p -154.82 -176.52 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.8 mt -142.87 120.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.209 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 55.13 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' HB3' HD12 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p -81.38 165.46 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 140.64 23.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.32 -15.12 56.38 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -86.5 117.98 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.694 0.283 . . . . 0.0 110.936 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 pm0 -70.05 -13.07 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.0 -1.1 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 63' ' ' GLU . 29.7 p90 -32.31 133.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 76.9 p -94.53 -169.96 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.67 -19.69 41.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.047 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -56.94 -30.01 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.89 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -88.73 -20.07 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -63.73 -16.01 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -44.76 -38.6 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 172.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.445 ' HE2' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.424 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.566 ' HB2' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.566 ' OD1' ' HB2' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.445 ' HA ' ' HE2' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.451 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.451 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.405 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.429 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.405 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.416 HG22 HD23 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.424 HD12 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 HG12 ' HD2' ' A' ' 16' ' ' LYS . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HD2' HG12 ' A' ' 8' ' ' VAL . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.466 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.466 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.5 168.0 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.27 106.45 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -123.48 116.29 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.3 90.62 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -169.6 177.41 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -95.55 121.37 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -133.64 88.16 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.648 0.737 . . . . 0.0 110.802 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.94 143.35 16.24 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.423 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -147.43 -174.05 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.4 tt -159.81 130.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 52.38 59.46 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.432 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -88.37 -178.83 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.38 133.81 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.32 -19.16 63.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -83.0 115.68 21.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 110.942 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 pm0 -70.03 -18.64 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.6 mt-10 -77.27 -4.85 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -176.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.4 p90 -33.05 135.42 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -94.44 -168.56 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -21.61 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.79 -30.07 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.6 mpp_? -88.49 -20.19 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -59.31 -13.51 8.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -45.8 -35.66 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.556 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.405 ' HZ ' ' HB3' ' A' ' 130' ' ' ALA . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.477 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.477 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.476 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.473 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.405 ' HB3' ' HZ ' ' A' ' 90' ' ' PHE . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.473 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . 0.556 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.432 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.422 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.77 149.59 50.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -99.43 110.31 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -126.69 117.28 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 147' ' ' LYS . 64.7 t0 -100.68 85.47 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -157.47 159.17 37.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -98.36 126.06 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -130.2 94.94 29.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.706 0.765 . . . . 0.0 110.815 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.39 139.14 11.38 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -159.6 -169.96 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -160.04 131.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 56.51 62.82 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.422 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p -84.72 172.83 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' HB1' ' HB3' ' A' ' 64' ' ' TYR . . . -52.72 139.07 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 -176.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 1.6 7.73 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 167.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -112.26 140.78 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.876 165.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -70.01 -16.87 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.4 mt-10 -61.34 -21.36 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -173.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.0 p90 -34.26 131.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.408 ' H ' HH21 ' A' ' 68' ' ' ARG . 90.1 p -98.47 -169.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -170.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.32 -20.67 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -59.97 -29.05 68.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.408 HH21 ' H ' ' A' ' 65' ' ' SER . 1.4 mpp_? -89.9 -20.45 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 178.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.35 -16.46 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -43.97 -36.68 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.433 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.433 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.427 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.658 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.459 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.455 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.418 HG21 ' HG2' ' A' ' 147' ' ' LYS . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.658 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' HB2' HG21 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 HG12 ' HD2' ' A' ' 16' ' ' LYS . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.403 HG12 ' HB3' ' A' ' 83' ' ' ALA . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HD2' HG12 ' A' ' 8' ' ' VAL . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG11 ' A' ' 152' ' ' VAL . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.408 ' O ' HG12 ' A' ' 24' ' ' ILE . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 20' ' ' THR . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -127.52 156.68 41.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -101.29 113.62 26.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.75 100.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -98.82 81.25 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -174.45 176.14 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -99.5 124.41 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -131.55 90.78 36.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 0.0 110.817 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.26 141.21 16.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.0 p -154.46 179.69 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 84.6 mt -142.56 121.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -174.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 57.21 63.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.458 ' HD3' HD22 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.458 HD22 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p -76.25 166.43 23.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.429 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.7 139.71 20.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.97 -15.27 42.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.488 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -82.23 119.26 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.885 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 16.3 pm0 -65.29 -20.63 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -175.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' TYR . 74.5 mm-40 -82.24 -2.02 51.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLU . 35.4 p90 -33.17 133.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -95.02 -168.45 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -168.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.12 -22.78 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -58.79 -31.63 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -90.89 -22.5 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.66 -19.71 62.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -45.74 -36.93 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.425 HG21 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.403 ' HB3' HG12 ' A' ' 14' ' ' VAL . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.455 ' HB3' HD21 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.415 HD21 ' HB3' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.415 ' HB3' HD21 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.442 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.442 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.435 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.421 ' HG2' HG21 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.421 HG21 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.435 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . 0.403 HG11 ' HB3' ' A' ' 19' ' ' LEU . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.432 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.466 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.438 HD12 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -134.45 150.02 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -94.76 113.8 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 172.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -118.54 104.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -173.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -102.3 91.02 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -171.68 177.0 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -101.13 126.09 47.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 -172.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.4 92.84 26.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.822 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.98 134.08 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.419 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.7 p -154.98 -169.4 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 12.5 tt -159.97 129.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -175.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.97 69.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.438 ' HB3' HD12 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p -86.61 169.02 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -49.14 137.85 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.088 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.78 -10.94 27.75 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 166.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.62 121.15 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 172.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 17.3 pm0 -69.64 -14.91 63.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.81 -6.3 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 63' ' ' GLU . 23.5 p90 -33.46 133.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.3 p -95.58 -169.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.802 -169.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.43 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.04 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -59.32 -27.99 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -89.89 -19.66 24.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.05 -15.9 58.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -46.67 -39.32 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.683 ' HA3' HD12 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.494 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.494 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.53 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.429 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.429 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.454 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.442 HD22 ' HB3' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.41 ' HB2' HG12 ' A' ' 139' ' ' ILE . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.454 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' THR . . . . . 0.447 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.462 ' HG2' HG21 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . 0.462 HG21 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . 0.447 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . 0.683 HD12 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 HG21 ' HG3' ' A' ' 16' ' ' LYS . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.462 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -124.53 162.5 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 5.9 m-30 -107.45 112.47 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 172.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.1 t -119.3 104.32 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -100.13 84.31 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -174.87 175.11 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -97.85 122.76 41.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -128.43 89.57 49.27 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.99 144.01 18.5 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.695 2.263 . . . . 0.0 112.399 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.8 t -160.31 -175.01 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -141.73 122.33 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 50.88 64.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HD3' HD22 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD22 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -85.23 166.62 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 135.58 44.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.39 -16.1 53.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.08 122.34 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.3 -17.21 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' TYR . 99.0 mt-10 -75.13 -3.42 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' GLU . 34.3 p90 -33.74 132.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.8 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.6 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.39 -30.81 68.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -89.95 -19.92 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -17.91 60.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -46.18 -37.89 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.465 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.491 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.454 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.404 ' HB2' HE21 ' A' ' 129' ' ' GLN . 19.4 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.404 ' HB2' HG13 ' A' ' 139' ' ' ILE . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.491 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ILE . . . . . 0.454 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ARG . . . . . 0.441 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD23 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.437 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.488 ' HE1' ' HB ' ' A' ' 100' ' ' ILE . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.488 ' HB ' ' HE1' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.753 HD21 ' HB2' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.753 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.632 HD21 ' HB2' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.632 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' HG23 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.58 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 21.6 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.499 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.402 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.447 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.407 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 17.4 pm0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG23 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.439 ' HA ' HD13 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.425 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.537 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.2 t30 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.615 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.429 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.805 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.405 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.405 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' HG23 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.909 0.385 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB2' HD23 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG23 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.703 ' HB3' HD11 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HD23 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.432 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.437 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.455 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.403 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.481 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.405 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.476 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.411 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.428 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.491 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.428 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.404 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.436 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.558 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.413 ' HA ' ' HE1' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.415 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.415 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.408 HD11 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.449 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.445 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' LEU . . . . . 0.539 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.41 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.65 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.65 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.836 0.351 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' HD21 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 74' ' ' THR . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' HD23 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.43 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.402 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.441 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.439 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' THR . . . . . 0.433 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' ILE . . . . . 0.667 HD11 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.415 HD21 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.476 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.434 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ILE . . . . . 0.434 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' THR . . . . . 0.406 HG21 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD23 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 29' ' ' VAL . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.437 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 -154.19 151.75 29.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.06 110.43 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 21' ' ' ILE . 65.2 t -133.86 134.56 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -172.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.2 m-20 -105.47 -13.68 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' ASP . 88.9 tt0 -38.33 134.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -99.06 139.5 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 46.6 p30 -69.36 162.75 64.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.2 Cg_endo -65.15 169.13 12.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -71.18 -4.76 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.96 165.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.114 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -43.54 147.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -108.47 160.01 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.17 146.52 37.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.478 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 65.57 86.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.582 ' H ' ' CD ' ' A' ' 61' ' ' GLN . 20.4 mp0 -53.7 -55.29 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -174.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.33 -32.81 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -75.18 -2.49 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -68.19 75.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.4 p -81.66 -178.33 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.86 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.72 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.62 -33.42 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -92.41 -26.39 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.8 -22.99 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -47.49 -38.27 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.488 ' HE1' ' HB ' ' A' ' 100' ' ' ILE . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.488 ' HB ' ' HE1' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.753 HD21 ' HB2' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.753 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -155.11 154.26 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -69.69 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.972 174.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.81 134.45 37.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -106.56 -15.87 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -39.97 130.5 2.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.0 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.85 147.52 27.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -62.7 161.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.931 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.558 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 49.2 Cg_endo -65.18 176.82 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.306 177.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.5 p -63.42 -11.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -117.12 165.08 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -56.86 160.48 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p -101.39 160.31 14.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.33 133.86 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 75.0 98.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -175.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -51.03 -56.63 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.5 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.965 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.9 mt-10 -63.49 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -177.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -69.0 75.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.019 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.7 p -94.36 -168.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.15 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -62.87 -33.02 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.14 -16.44 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.4 -19.07 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -47.62 -36.34 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.632 HD21 ' HB2' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.632 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' HG23 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG21 HG11 ' A' ' 29' ' ' VAL . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -153.0 148.96 27.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.89 117.51 15.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG11 HG21 ' A' ' 21' ' ' ILE . 83.5 t -138.09 136.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -167.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.6 m-20 -110.05 -9.04 14.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 173.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ASP . 43.7 tp10 -38.03 117.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -89.78 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -60.08 161.36 12.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 37.5 Cg_endo -61.79 173.08 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 175.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.1 p -62.55 -12.58 23.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -114.74 165.41 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.126 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 21.6 pm0 -55.23 159.6 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD13 ' C ' ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -96.86 161.98 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.96 129.36 25.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 74.94 114.39 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -57.12 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -33.9 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.597 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -63.81 -27.17 69.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -69.73 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 172.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -94.92 -167.83 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.93 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -61.76 -33.71 74.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -95.6 -14.43 23.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.858 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.42 -19.34 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -47.41 -38.15 12.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.499 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -157.95 145.25 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -84.96 117.05 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.2 108.54 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -87.75 4.39 44.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -38.56 127.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -113.68 144.01 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -140.42 106.29 6.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 110.823 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.78 138.48 23.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.576 2.184 . . . . 0.0 112.369 -172.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m 67.71 13.37 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 170.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -134.33 115.06 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.125 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.88 156.89 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -133.52 170.41 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.61 127.07 35.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.25 37.42 3.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.524 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -99.33 158.41 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.64 -30.46 68.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -95.75 11.71 32.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -42.4 143.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -88.98 142.73 27.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -164.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.67 -26.79 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.8 -23.31 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -102.29 -27.86 12.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.42 -34.85 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 176.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -58.08 -35.23 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.447 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.407 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.58 ' H ' ' HA3' ' A' ' 60' ' ' GLY . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -156.24 139.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.85 115.96 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.26 107.48 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -171.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -82.05 5.51 19.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -37.94 127.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -110.35 141.48 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -138.28 107.83 8.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -74.14 132.92 17.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -170.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m 65.81 9.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -128.5 121.49 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 17.4 pm0 -72.16 158.7 35.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG23 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p -131.44 167.59 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.35 122.18 20.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' ' H ' ' A' ' 10' ' ' GLY . . . -89.9 19.98 38.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 168.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.46 153.95 18.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.44 -25.25 65.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.2 3.55 23.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.888 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -41.35 140.12 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -104.97 155.58 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -165.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -53.11 -27.92 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 164.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.24 -24.79 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -97.93 -35.57 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 95.2 m-20 -57.0 -32.75 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -57.05 -34.99 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' HA ' HD13 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.425 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.537 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -154.93 151.97 29.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -81.88 115.95 21.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -129.59 130.42 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -103.64 -20.26 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -40.87 135.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -91.93 131.85 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.3 p30 -69.21 170.6 8.51 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.571 0.701 . . . . 0.0 110.859 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 69.7 Cg_exo -54.96 156.89 14.34 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p -67.65 -12.12 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 pt -109.0 161.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -54.02 141.68 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m -115.26 136.05 53.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.62 139.95 29.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.67 101.92 2.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.537 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -84.8 13.22 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 110.835 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -83.75 -50.06 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -97.27 -5.83 35.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -45.4 115.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.0 p -144.78 -170.91 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.49 -24.66 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.088 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -60.46 -33.39 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -90.93 -29.83 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.25 -28.01 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -57.24 -34.27 68.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.595 ' O ' HG22 ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 4.2 t30 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.615 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.429 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -155.69 152.51 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -80.07 116.79 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.98 125.52 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 -171.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.28 -19.83 13.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -40.56 133.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -89.91 133.13 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.7 p30 -69.9 171.17 7.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.607 0.717 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 77.7 Cg_exo -54.95 160.61 7.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -64.84 -15.11 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.78 160.0 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -56.44 142.05 40.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -114.07 137.99 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.64 148.71 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.26 97.44 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.537 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 -89.8 29.46 1.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.47 -47.41 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.56 -3.19 40.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.973 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -49.58 109.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.9 p -135.16 -166.74 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.1 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -60.22 -31.04 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -92.81 -27.08 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -57.28 -25.55 59.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.93 -34.45 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.805 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' HA ' HD13 ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.405 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.405 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' HG23 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 -157.48 151.82 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -79.03 116.62 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.83 130.11 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -168.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -105.47 -19.27 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 171.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -39.87 135.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.08 127.79 35.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.4 p30 -67.95 171.58 5.32 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 71.5 Cg_exo -54.27 159.47 7.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.9 p -69.07 -11.34 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -111.75 165.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -55.05 148.93 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m -106.93 134.73 49.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.16 150.26 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.47 99.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -91.77 30.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -92.99 -50.21 5.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -97.45 -7.13 32.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.0 100.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -131.83 -157.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.41 -30.88 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -93.06 -22.2 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.93 -21.45 63.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -55.14 -38.8 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB2' HD23 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG23 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 -155.19 153.0 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -80.63 111.86 17.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.52 131.8 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -103.67 -15.3 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.04 134.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -95.43 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.584 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 49.5 p30 -63.77 162.48 28.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.6 Cg_endo -62.43 167.15 11.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -67.72 -9.93 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 pt -106.3 159.92 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.89 150.37 24.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.703 ' HB3' HD11 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m -111.24 140.45 45.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.72 147.97 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.22 93.83 0.27 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.564 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 99.6 mm-40 -88.97 -7.35 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -38.15 89.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' SER . 98.3 mt-10 -91.12 -5.3 55.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.6 t80 -35.3 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' GLU . 91.2 p -128.12 -172.45 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -54.19 -22.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 173.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -59.7 -32.55 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 63.3 mtt85 -90.12 -37.99 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 96.7 m-20 -57.89 -35.19 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.19 -34.97 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HD23 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.578 ' O ' HG22 ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 61' ' ' GLN . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.432 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.437 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 28' ' ' PHE . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -160.14 149.85 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' HG2' ' A' ' 22' ' ' GLN . 57.6 t80 -81.48 105.12 12.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.7 125.94 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -99.66 -22.5 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.02 133.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -85.89 130.06 34.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 44.8 p30 -68.22 171.65 5.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.581 0.705 . . . . 0.0 110.875 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 72.9 Cg_exo -55.09 161.8 6.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.402 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -64.61 -14.25 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.02 167.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -61.63 150.97 34.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p -120.41 162.74 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.05 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.06 95.0 0.14 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -61.84 -27.36 68.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.0 -39.92 79.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.01 -37.12 69.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.9 t80 -42.54 95.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 171.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -135.08 -167.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.0 17.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.077 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 97.0 mtt180 -94.48 -20.51 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.15 -30.01 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 167.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -61.82 -40.39 95.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 170.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.455 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.403 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.481 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -130.97 153.81 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -99.96 110.35 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.7 t -115.95 105.42 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -99.19 87.3 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.793 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -166.62 170.51 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -94.33 122.41 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -129.69 89.33 46.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.836 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.36 140.17 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.411 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.6 p -149.26 -179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.806 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 82.6 mt -141.42 116.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.197 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 57.34 69.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -79.12 170.78 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.6 139.52 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.96 -15.69 36.69 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 171.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.23 117.35 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.299 . . . . 0.0 110.83 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 15.3 pm0 -68.19 -17.37 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' TYR . 75.2 mm-40 -83.09 -0.33 48.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLU . 20.6 p90 -33.82 133.89 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -94.94 -166.42 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.93 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.098 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -58.7 -32.24 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.19 -20.02 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.33 -20.49 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -46.93 -37.43 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.405 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -123.94 152.31 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -101.43 109.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.9 105.18 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -173.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -103.96 88.21 2.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -172.8 177.32 2.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -99.35 124.6 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -129.97 91.05 40.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.67 137.89 11.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -153.84 -170.34 3.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 13.8 tt -158.5 130.29 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 53.79 64.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p -82.67 169.01 16.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.93 139.39 22.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.25 -13.3 48.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 168.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -86.59 121.0 28.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -68.29 -17.04 64.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.2 mt-10 -80.12 -7.67 59.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLU . 11.0 p90 -34.23 132.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 t -99.95 -162.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.841 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -24.73 57.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -57.81 -31.86 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.01 -20.06 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.67 -18.56 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -46.51 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 173.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.411 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -123.68 164.55 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 4.3 m-30 -111.69 112.52 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 173.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.54 106.51 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -104.86 83.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -174.92 176.78 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -94.84 122.96 38.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 67.2 t0 -138.24 89.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.86 143.24 16.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 0.0 112.368 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -144.17 -173.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 tt -160.01 130.48 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 53.23 61.3 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -90.26 170.75 10.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -50.91 134.23 25.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.17 -5.77 49.95 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.534 170.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -100.41 126.38 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.983 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.99 -16.3 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.7 mt-10 -72.12 -9.99 59.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 27.9 p90 -33.48 132.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -95.1 -168.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -19.51 47.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.1 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.98 -31.75 69.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.95 -20.03 23.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -62.84 -18.66 63.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -44.75 -38.41 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 173.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -128.45 153.07 47.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -98.79 107.5 19.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.17 118.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -173.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -107.3 93.59 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.57 -179.99 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -106.88 129.71 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -139.96 87.51 12.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.631 0.729 . . . . 0.0 110.846 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.59 144.09 22.1 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 t -146.77 -170.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 tt -158.45 129.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 52.32 60.93 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -86.29 174.96 8.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -50.23 135.2 21.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.051 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.05 -11.6 32.68 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.518 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -84.37 123.11 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.939 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 pm0 -65.22 -18.77 65.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -83.83 -3.05 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -175.102 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' C ' ' O ' ' A' ' 63' ' ' GLU . 24.3 p90 -33.35 132.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -95.06 -167.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -169.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.94 -19.53 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.146 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.0 mmm -58.21 -31.69 67.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.93 -20.04 23.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.73 -19.27 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -46.61 -37.94 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.428 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.491 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.428 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.404 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.436 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -127.43 158.52 37.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -100.23 113.54 26.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -115.92 104.73 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -106.04 86.56 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -174.41 177.6 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -107.92 132.29 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -134.67 91.07 21.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.857 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -76.84 137.6 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.389 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 84.4 p -154.82 -176.52 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.8 mt -142.87 120.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.209 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 55.13 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p -81.38 165.46 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 140.64 23.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.32 -15.12 56.38 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -86.5 117.98 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.694 0.283 . . . . 0.0 110.936 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 pm0 -70.05 -13.07 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.0 -1.1 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 63' ' ' GLU . 29.7 p90 -32.31 133.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 76.9 p -94.53 -169.96 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.67 -19.69 41.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.047 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -56.94 -30.01 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.89 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -88.73 -20.07 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -63.73 -16.01 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -44.76 -38.6 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 172.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.413 ' HA ' ' HE1' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.415 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.415 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.408 HD11 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.449 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.5 168.0 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.27 106.45 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -123.48 116.29 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.3 90.62 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -169.6 177.41 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -95.55 121.37 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -133.64 88.16 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.648 0.737 . . . . 0.0 110.802 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.94 143.35 16.24 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.423 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -147.43 -174.05 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.4 tt -159.81 130.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 52.38 59.46 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -88.37 -178.83 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.38 133.81 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.32 -19.16 63.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -83.0 115.68 21.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 110.942 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 pm0 -70.03 -18.64 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.6 mt-10 -77.27 -4.85 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -176.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.4 p90 -33.05 135.42 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -94.44 -168.56 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -21.61 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.79 -30.07 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.6 mpp_? -88.49 -20.19 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -59.31 -13.51 8.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -45.8 -35.66 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.445 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' LEU . . . . . 0.539 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.77 149.59 50.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -99.43 110.31 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -126.69 117.28 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 147' ' ' LYS . 64.7 t0 -100.68 85.47 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -157.47 159.17 37.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -98.36 126.06 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -130.2 94.94 29.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.706 0.765 . . . . 0.0 110.815 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.39 139.14 11.38 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -159.6 -169.96 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -160.04 131.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 56.51 62.82 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p -84.72 172.83 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -52.72 139.07 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 -176.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 1.6 7.73 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 167.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -112.26 140.78 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.876 165.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -70.01 -16.87 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.4 mt-10 -61.34 -21.36 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -173.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.0 p90 -34.26 131.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.445 ' H ' HH21 ' A' ' 68' ' ' ARG . 90.1 p -98.47 -169.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -170.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.32 -20.67 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -59.97 -29.05 68.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 65' ' ' SER . 1.4 mpp_? -89.9 -20.45 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 178.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.35 -16.46 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -43.97 -36.68 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.41 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.65 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.65 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -127.52 156.68 41.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -101.29 113.62 26.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.75 100.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -98.82 81.25 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -174.45 176.14 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -99.5 124.41 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -131.55 90.78 36.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 0.0 110.817 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.26 141.21 16.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.0 p -154.46 179.69 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 84.6 mt -142.56 121.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -174.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 57.21 63.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' HD21 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p -76.25 166.43 23.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.7 139.71 20.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.97 -15.27 42.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.488 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -82.23 119.26 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.885 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 pm0 -65.29 -20.63 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' TYR . 74.5 mm-40 -82.24 -2.02 51.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLU . 35.4 p90 -33.17 133.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -95.02 -168.45 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -168.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.12 -22.78 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -58.79 -31.63 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -90.89 -22.5 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.66 -19.71 62.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -45.74 -36.93 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 74' ' ' THR . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' HD23 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.43 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.441 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -134.45 150.02 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -94.76 113.8 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 172.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -118.54 104.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -173.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -102.3 91.02 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -171.68 177.0 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -101.13 126.09 47.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 -172.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.4 92.84 26.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.822 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.98 134.08 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.419 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.7 p -154.98 -169.4 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 tt -159.97 129.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.97 69.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p -86.61 169.02 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.14 137.85 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.78 -10.94 27.75 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 166.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.62 121.15 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 172.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 17.3 pm0 -69.64 -14.91 63.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.81 -6.3 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 63' ' ' GLU . 23.5 p90 -33.46 133.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.3 p -95.58 -169.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.802 -169.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.43 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.04 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -59.32 -27.99 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -89.89 -19.66 24.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.05 -15.9 58.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -46.67 -39.32 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.439 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' THR . . . . . 0.433 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ILE . . . . . 0.667 HD11 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -124.53 162.5 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 5.9 m-30 -107.45 112.47 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 172.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.1 t -119.3 104.32 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -100.13 84.31 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -174.87 175.11 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -97.85 122.76 41.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -128.43 89.57 49.27 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.99 144.01 18.5 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.695 2.263 . . . . 0.0 112.399 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.8 t -160.31 -175.01 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -141.73 122.33 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 50.88 64.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.415 HD21 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -85.23 166.62 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 135.58 44.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.39 -16.1 53.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.08 122.34 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.3 -17.21 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' TYR . 99.0 mt-10 -75.13 -3.42 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' GLU . 34.3 p90 -33.74 132.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.8 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.6 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.39 -30.81 68.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -89.95 -19.92 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -17.91 60.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -46.18 -37.89 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.476 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.434 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ILE . . . . . 0.434 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' THR . . . . . 0.406 HG21 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD23 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.437 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.828 0.347 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.488 ' HE1' ' HB ' ' A' ' 100' ' ' ILE . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.488 ' HB ' ' HE1' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.753 HD21 ' HB2' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 129' ' ' GLN . 17.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.753 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 . . . . . 0 N--CA 1.457 -0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.632 HD21 ' HB2' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.632 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' HG23 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.58 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 21.6 pm0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.877 0.37 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.57 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.83 0.347 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.499 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.402 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.838 0.352 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.447 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.407 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 37' ' ' GLU . 17.4 pm0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.883 0.373 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.412 HG23 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.439 ' HA ' HD13 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.425 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.537 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.893 0.378 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.844 0.354 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t-20 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.615 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' N ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.615 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.429 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.853 0.359 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.847 0.356 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.805 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 99' ' ' GLN . 17.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.405 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.405 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' HG23 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.909 0.385 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB2' HD23 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.6 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG23 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.703 ' HB3' HD11 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.854 0.359 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HD23 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.432 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.437 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HB2' HE21 ' A' ' 70' ' ' GLN . 14.9 mt-30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.419 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.455 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.403 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.481 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.765 0.317 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.876 0.37 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.405 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.781 0.324 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.476 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 95' ' ' GLN . 18.9 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.411 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.837 0.351 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.846 0.355 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.788 0.328 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.428 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.491 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.6 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.428 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.404 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.436 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.85 0.357 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.558 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.413 ' HA ' ' HE1' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.415 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.415 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.408 HD11 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.449 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.817 0.341 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.835 0.35 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.445 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . 0.539 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.701 0.286 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.41 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.65 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.65 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.836 0.351 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' HD21 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.778 0.323 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 74' ' ' THR . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' HD23 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.43 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.402 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.441 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.768 0.318 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.785 0.326 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.439 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . 0.433 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . 0.667 HD11 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.774 0.321 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.415 HD21 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.798 0.332 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.476 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.434 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HB2' HE21 ' A' ' 129' ' ' GLN . 19.4 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ILE . . . . . 0.434 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' THR . . . . . 0.406 HG21 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.834 0.35 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 84.7 m -65.11 130.02 41.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -112.94 139.66 48.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.955 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -119.28 110.62 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 173.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -103.91 98.45 8.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 91.8 mt -115.24 141.97 47.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -168.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.1 t -108.93 130.06 62.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 -170.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 88.4 t -102.41 127.39 56.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.8 m -128.28 160.38 38.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -175.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.54 166.6 18.78 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.88 162.88 27.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 111.062 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.2 138.99 31.63 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.476 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 119.87 -12.61 10.77 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.521 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 m -98.96 173.12 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.932 0.396 . . . . 0.0 111.128 173.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -101.38 57.3 0.69 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.464 -174.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -54.78 -42.88 72.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 175.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 68.3 p -64.53 -40.44 95.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 176.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.6 -39.81 95.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.081 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD21 ' CE2' ' A' ' 156' ' ' PHE . 5.7 tt -56.23 -52.61 63.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.471 ' N ' HD23 ' A' ' 19' ' ' LEU . 87.2 m -69.38 -50.18 48.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.161 -176.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.433 HG21 HG11 ' A' ' 29' ' ' VAL . 97.1 mt -65.24 -41.09 90.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 -170.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 81.0 mt-30 -61.93 -41.03 97.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.921 -179.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.9 mt -64.57 -47.19 79.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.985 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.437 HG13 ' HG2' ' A' ' 25' ' ' GLN . 42.3 pt -78.36 -22.3 13.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -171.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.8 mm-40 -103.26 -10.3 18.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 177.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 52.72 47.77 23.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.456 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 75.7 t60 -154.19 151.75 29.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.868 -171.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -73.06 110.43 7.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.897 176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.433 HG11 HG21 ' A' ' 21' ' ' ILE . 65.2 t -133.86 134.56 55.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.102 -172.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.2 m-20 -105.47 -13.68 15.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 175.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 30' ' ' ASP . 88.9 tt0 -38.33 134.63 0.84 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -177.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -99.06 139.5 34.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.599 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 46.6 p30 -69.36 162.75 64.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 0.0 110.881 178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.599 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.2 Cg_endo -65.15 169.13 12.63 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.333 179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -71.18 -4.76 27.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -172.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 47.8 pt -121.96 165.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.114 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -43.54 147.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -151.13 123.38 8.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 24.8 t -112.71 142.42 45.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -126.66 151.81 47.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.013 173.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -129.9 139.16 51.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.3 tptt -145.35 135.06 23.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.31 124.91 26.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 177.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.6 m -135.77 160.48 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.8 t -114.9 119.78 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.163 172.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.0 mt -120.81 119.46 59.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 -177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 53.85 42.18 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.15 -5.15 81.27 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.42 174.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -101.25 128.23 47.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.866 0.365 . . . . 0.0 110.958 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -87.44 125.08 34.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.156 175.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -154.82 174.77 14.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -172.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.9 mt -104.9 132.85 50.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.901 174.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 67.1 tp -104.73 116.05 31.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 174.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -112.95 112.6 24.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.829 -177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.2 mt -110.49 124.23 67.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.1 tp -105.62 125.75 51.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -179.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -98.05 126.08 43.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 169.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 44.7 p -108.47 160.01 16.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.17 146.52 37.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.067 -176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.478 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 65.57 86.66 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.476 -175.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.582 ' CD ' ' H ' ' A' ' 61' ' ' GLN . 20.4 mp0 -53.7 -55.29 27.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.332 . . . . 0.0 110.865 -174.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -69.33 -32.81 72.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 175.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -75.18 -2.49 28.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -177.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 30.4 t80 -68.19 75.02 0.23 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.945 175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 79.4 p -81.66 -178.33 6.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.86 -169.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.7 -30.72 61.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.62 -33.42 72.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -92.41 -26.39 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -55.8 -22.99 27.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.9 pt20 -47.49 -38.27 13.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -66.53 -29.5 69.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.488 ' HE1' ' HB ' ' A' ' 100' ' ' ILE . 97.4 mmm -54.86 -20.63 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -177.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -50.06 -27.54 5.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.811 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 74.7 p -63.84 -63.56 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 175.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.95 8.61 58.26 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.515 157.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -70.69 -66.4 0.61 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.843 0.354 . . . . 0.0 110.902 -176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -160.35 166.95 35.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 -176.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -131.21 132.11 44.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -170.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' C ' HD23 ' A' ' 79' ' ' LEU . 6.2 tt -105.9 118.25 36.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.926 172.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.8 m -99.49 121.68 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 85.0 t -110.92 127.78 67.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.103 -176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -131.52 164.46 25.75 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 173.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -102.94 137.63 40.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 175.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 48.6 mm -58.48 -24.82 26.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.137 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -94.39 -4.7 47.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -111.61 86.56 2.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -174.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.8 m -62.06 -44.23 97.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.139 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.77 -24.57 66.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.948 -171.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 95.6 p -58.79 -25.65 63.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 -174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -65.19 -40.69 94.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.69 -38.19 73.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -66.35 -38.8 88.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.0 mt -65.2 -41.31 91.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 175.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -63.44 -48.37 78.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -178.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -66.24 -46.4 77.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -56.58 -37.86 71.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 174.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -63.41 -42.86 98.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.67 -37.58 86.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -68.76 -46.0 69.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.488 ' HB ' ' HE1' ' A' ' 72' ' ' MET . 44.1 pt -68.8 -27.82 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.142 -177.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 44.2 mmtm -68.86 -37.31 79.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 173.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.95 -37.99 85.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.872 178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.78 -30.12 49.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.147 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HD3' ' HB3' ' A' ' 72' ' ' MET . 31.6 mmmt -98.3 1.7 47.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.869 -176.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 45.16 45.34 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 88.3 p -169.88 162.39 9.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.837 -172.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -156.72 69.57 0.61 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -152.5 78.53 1.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 163.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.2 m -131.9 154.03 81.61 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.581 0.705 . . . . 0.0 111.213 -173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -66.61 131.04 24.92 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.65 2.234 . . . . 0.0 112.361 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 77.1 mtm -145.12 146.19 31.71 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.0 t -134.59 138.22 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.137 175.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.405 HD23 ' HB2' ' A' ' 134' ' ' ALA . 40.8 tp -102.27 126.06 49.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 178.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.5 t -126.59 132.37 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.183 -175.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.24 125.28 7.08 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.753 HD21 ' HB2' ' A' ' 146' ' ' ALA . 15.5 t-20 -102.16 167.08 10.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.882 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 67.41 38.3 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.7 m -76.27 -9.7 58.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.848 178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -91.14 -9.87 43.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.8 tp -76.31 132.77 40.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 175.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.24 -41.27 17.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 -174.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.57 77.35 9.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 7.9 ppt_? -120.02 168.55 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.1 p -134.6 30.0 3.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 75.9 t -128.48 112.43 26.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -72.28 131.62 42.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.946 171.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.6 p -60.17 -29.29 68.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.87 -175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.56 -37.62 86.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.849 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.411 ' HB2' HE21 ' A' ' 129' ' ' GLN . 17.6 mt-30 -70.8 -45.0 65.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.857 175.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.97 97.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 -175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -70.78 -34.93 72.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 -176.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -66.21 -38.42 87.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.6 mt -64.22 -40.42 96.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 175.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.405 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.14 -40.65 96.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 174.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.04 -38.06 87.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -177.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.3 p -67.07 -25.61 66.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.1 m-30 -91.58 -4.33 55.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.93 30.59 70.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.476 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.6 pt -124.51 149.91 63.13 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 111.129 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.469 ' HG2' HG21 ' A' ' 158' ' ' THR . 46.0 Cg_exo -60.56 143.62 99.45 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.632 2.221 . . . . 0.0 112.327 179.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -110.06 120.03 41.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.972 173.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.2 mt -127.19 129.31 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.148 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.35 137.38 35.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 173.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 12.7 t -142.58 163.1 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 -174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.2 t -130.67 119.72 22.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.753 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -55.81 -21.36 19.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.1 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.26 -64.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.824 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 53.7 p -142.1 -41.47 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.167 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -67.37 103.52 1.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.853 -172.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -90.17 113.93 25.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.67 -6.17 27.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.457 168.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 28.3 m -74.15 -31.27 29.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 111.11 -174.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.22 -49.84 74.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.39 -33.78 75.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 177.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.15 -41.78 97.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.541 ' CE2' HD21 ' A' ' 19' ' ' LEU . 35.5 m-85 -67.9 -38.98 83.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 177.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 11.6 m-30 -65.01 -39.31 93.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.913 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.469 HG21 ' HG2' ' A' ' 140' ' ' PRO . 90.7 m -59.34 -43.94 92.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 173.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 81.3 mt -59.64 -43.36 93.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 50.8 t -65.72 -44.61 93.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.7 mtt180 -61.48 -40.64 95.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.854 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -67.36 -34.48 77.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.69 -42.84 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 172.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.49 -30.3 69.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 73.7 mm-40 -93.91 -10.49 33.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.905 -179.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 178.667 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -56.65 129.67 42.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -116.44 133.68 55.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 -178.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -116.96 117.2 29.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -99.36 101.84 13.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.806 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 53.3 mt -109.69 135.26 50.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -170.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.2 t -113.79 127.17 71.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -104.62 125.68 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.099 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -127.11 160.11 36.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 -177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.61 160.21 10.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.439 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.49 164.8 25.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.122 -176.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.19 139.02 31.69 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.457 -175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.61 -7.88 10.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.529 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.408 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.8 m -103.84 175.43 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.915 0.388 . . . . 0.0 111.117 175.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.31 55.6 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.52 -176.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' HG3' HG23 ' A' ' 14' ' ' VAL . 52.8 mtmt -52.05 -44.99 64.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.809 0.338 . . . . 0.0 110.909 179.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 99.8 p -72.49 -41.34 66.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -178.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.85 -44.99 91.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -175.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' HB3' HG21 ' A' ' 152' ' ' VAL . 90.9 mt -68.14 -41.6 81.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 -177.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 58.4 m -58.23 -41.79 84.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 175.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 93.9 mt -68.17 -37.75 78.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.13 -177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -57.83 -47.07 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 -177.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.8 tp -65.19 -45.79 83.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.401 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.6 pt -75.81 -20.04 15.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.175 -173.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -104.39 -8.05 19.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 177.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 53.75 45.0 28.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -155.11 154.26 32.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -69.69 121.7 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.972 174.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.0 t -139.81 134.45 37.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 -175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -106.56 -15.87 14.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 172.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -39.97 130.5 2.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.0 -177.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.85 147.52 27.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.558 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -62.7 161.98 24.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.641 0.734 . . . . 0.0 110.931 177.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.558 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 49.2 Cg_endo -65.18 176.82 2.9 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.658 2.239 . . . . 0.0 112.306 177.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.5 p -63.42 -11.33 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -175.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -117.12 165.08 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 175.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.3 pm0 -56.86 160.48 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -176.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -148.97 133.0 17.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -174.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.9 t -110.29 142.09 42.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -128.99 149.75 50.69 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.975 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -127.17 142.39 51.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 175.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.1 tptt -150.93 129.75 12.41 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 174.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -84.98 124.29 31.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.978 176.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.1 m -136.34 169.32 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.096 -173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.4 t -114.61 117.83 56.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 171.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.1 mt -120.41 120.93 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 53.66 38.85 29.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.88 76.61 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.47 175.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -97.4 126.67 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.9 0.381 . . . . 0.0 110.886 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.5 m -85.69 121.22 28.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 176.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -147.9 166.21 28.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -168.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.7 tp -111.12 123.56 50.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.7 mt -93.53 115.74 28.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.902 174.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -108.49 108.17 18.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 172.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.0 mt -113.01 123.93 69.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -169.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.9 mp -99.49 124.41 44.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.89 129.55 49.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 175.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 60.3 p -101.39 160.31 14.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.157 -174.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -136.33 133.86 37.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.129 177.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.498 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 75.0 98.9 0.11 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -175.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -51.03 -56.63 11.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 176.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.5 -34.23 77.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.965 176.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.9 mt-10 -63.49 -22.64 67.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -177.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -69.0 75.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.019 173.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 82.7 p -94.36 -168.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.845 -175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.24 -30.15 64.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.128 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -62.87 -33.02 74.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 176.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.3 mtt85 -95.14 -16.44 22.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.787 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -61.4 -19.07 61.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.904 173.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -47.62 -36.34 10.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.886 170.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.5 m-30 -62.09 -29.92 70.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 98.4 mmm -58.8 -23.03 59.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -55.36 -29.84 59.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.792 177.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 67.1 m -56.34 -57.51 11.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 172.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 83.04 -23.99 5.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.443 158.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -55.07 -72.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.878 -168.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.43 155.46 26.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -174.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -135.69 132.67 37.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.054 0.454 . . . . 0.0 110.853 -171.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.6 tp -104.29 123.33 47.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.962 176.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.7 m -98.24 117.41 32.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.2 t -108.88 126.82 65.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -136.43 167.69 20.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.851 175.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.443 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -106.52 140.21 39.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.033 175.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.403 HG22 ' HB2' ' A' ' 123' ' ' ARG . 49.8 mm -63.66 -16.42 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.076 -178.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.443 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -95.59 -2.93 47.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 177.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -112.5 85.66 2.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.899 -175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.1 m -64.08 -45.88 86.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 -176.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.19 -24.99 65.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -171.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 98.8 p -57.81 -25.12 60.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -66.87 -36.53 82.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -177.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.49 -39.81 92.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -67.39 -39.19 85.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 178.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.94 -39.92 87.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -57.47 -45.37 84.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 176.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -60.73 -45.41 94.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.882 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -62.52 -41.98 99.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 48.5 tpt85 -57.19 -40.02 76.56 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.889 179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.07 -40.38 68.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 173.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.65 -45.45 86.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 -171.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.9 tt -55.25 -32.33 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 -176.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -58.91 -47.76 83.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.873 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.25 -37.61 63.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -176.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.4 t -64.78 -38.11 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 mmmt -98.74 4.5 47.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.928 -176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 44.92 41.24 5.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 -175.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 90.6 p -177.93 165.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -172.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -155.84 67.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -139.84 75.04 1.49 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 153.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.0 m -124.44 150.03 63.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.587 0.708 . . . . 0.0 111.179 -173.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -69.16 121.37 8.19 Favored 'Trans proline' 0 N--CA 1.465 -0.159 0 C-N-CA 122.746 2.298 . . . . 0.0 112.356 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 94.0 mtp -145.3 144.67 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.855 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 93.8 t -131.97 139.1 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.119 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 44.6 tp -103.47 126.51 50.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.84 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.454 ' HA ' ' O ' ' A' ' 142' ' ' ILE . 10.0 p -130.49 135.04 61.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -117.01 128.34 7.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.554 -176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.632 HD21 ' HB2' ' A' ' 146' ' ' ALA . 17.6 t-20 -101.84 168.73 9.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.863 0.363 . . . . 0.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 67.71 40.81 2.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 84.2 m -78.22 -10.92 59.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.822 177.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -100.19 -1.18 37.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.1 tp -73.71 134.45 43.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -67.51 -48.45 67.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 -174.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -88.12 78.15 8.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HB2' HG22 ' A' ' 84' ' ' ILE . 32.8 ptt-85 -125.01 148.23 48.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.773 177.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.5 p -133.59 28.47 3.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -163.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.401 ' HB ' HG23 ' A' ' 84' ' ' ILE . 94.9 t -124.03 113.53 37.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.061 170.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.407 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.9 tt0 -72.19 140.04 48.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 174.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.0 m -58.69 -37.51 76.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -178.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.5 mtt180 -63.82 -40.91 97.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.827 177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.8 95.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.067 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -71.49 -34.27 70.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.917 -175.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -68.55 -39.77 80.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.59 -39.02 92.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 175.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.13 89.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.114 173.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.96 -38.34 90.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.834 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.0 p -69.5 -24.9 63.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 20.3 m-30 -89.53 -5.67 57.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.886 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.43 23.93 72.04 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.478 177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 44.4 pt -127.2 154.01 76.86 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 -175.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.39 150.66 58.69 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.61 2.207 . . . . 0.0 112.358 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -113.27 120.61 41.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 176.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 114' ' ' VAL . 93.9 mt -128.14 129.77 69.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.101 -177.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -96.6 139.63 32.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -136.56 157.85 45.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -177.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.7 t -128.95 118.88 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 173.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.632 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -56.51 -25.74 52.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.094 179.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -58.32 -67.9 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.862 -173.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 41.0 p -142.48 -45.0 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.165 177.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 75.6 ttt-85 -64.5 103.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -173.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -79.95 95.13 6.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -92.1 -16.8 49.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.347 167.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 19' ' ' LEU . 8.4 p -64.78 -36.19 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 0.0 111.113 178.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.96 -48.57 78.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 177.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -59.52 -38.44 81.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.841 175.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.86 -46.4 88.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -70.68 -44.59 66.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -67.41 -38.75 85.12 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -177.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 60.7 m -59.58 -44.57 93.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 171.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 47.6 tp -60.83 -38.53 85.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.88 176.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.473 ' O ' HG22 ' A' ' 163' ' ' ILE . 46.9 t -64.94 -40.05 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.076 174.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -66.82 -35.54 80.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -63.19 -46.74 85.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -175.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 160' ' ' VAL . 19.0 tt -66.27 -26.98 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -61.35 -29.6 70.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 11.5 mp0 -103.73 -20.23 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.948 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.46 ' O ' ' CG ' ' A' ' 166' ' ' HIS . 85.0 t60 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.5 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.1 m -62.96 127.0 29.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -113.94 142.53 46.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -119.1 121.17 39.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 176.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -97.22 99.99 11.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.888 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.1 mt -109.86 132.29 54.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.872 -172.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.0 t -110.94 124.95 68.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 94.3 t -103.75 123.88 57.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.126 -177.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.37 161.78 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 -173.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.28 163.01 14.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.35 164.98 23.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.839 0.352 . . . . 0.0 111.102 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.08 132.16 30.79 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.477 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.59 -4.91 5.5 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.472 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.407 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.3 m -115.2 176.31 2.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.845 0.355 . . . . 0.0 111.144 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -111.62 58.53 0.39 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.539 -176.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HG3' HG23 ' A' ' 14' ' ' VAL . 54.1 mtmt -52.88 -41.13 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.79 0.328 . . . . 0.0 110.971 -179.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 80.1 p -70.88 -42.08 70.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.51 -45.41 90.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 -175.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.39 -44.31 79.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -174.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.7 m -59.0 -41.6 88.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.173 176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.412 HG21 HG11 ' A' ' 29' ' ' VAL . 95.2 mt -67.75 -38.36 80.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -177.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 71.5 mt-30 -58.41 -45.47 88.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.835 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 64.7 tp -65.25 -47.05 78.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.431 HG13 ' HG2' ' A' ' 25' ' ' GLN . 41.8 pt -76.11 -20.01 15.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.124 -171.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.431 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -105.76 -7.81 18.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 177.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 53.11 45.87 27.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -153.0 148.96 27.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -171.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.0 m-30 -73.89 117.51 15.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.931 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 HG11 HG21 ' A' ' 21' ' ' ILE . 83.5 t -138.09 136.15 44.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.168 -167.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' GLU . 71.6 m-20 -110.05 -9.04 14.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 173.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 30' ' ' ASP . 43.7 tp10 -38.03 117.15 0.57 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 -177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -89.78 136.71 32.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.548 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 52.2 p30 -60.08 161.36 12.92 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.9 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.548 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 37.5 Cg_endo -61.79 173.08 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.662 2.242 . . . . 0.0 112.355 175.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.1 p -62.55 -12.58 23.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 -174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 pt -114.74 165.41 9.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.126 175.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 37' ' ' GLU . 21.6 pm0 -55.23 159.6 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.88 -179.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -146.42 129.16 16.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -174.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -105.98 146.9 29.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -133.37 150.5 51.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 174.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -126.81 141.68 51.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 173.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -149.39 127.89 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -85.68 124.58 32.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 176.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.02 165.85 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 -171.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.3 t -114.75 116.82 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.122 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -120.82 120.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.142 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 53.08 40.08 30.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.87 -4.49 79.65 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 175.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -99.8 125.82 45.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.866 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.8 m -88.0 125.11 34.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 176.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.9 p -152.39 169.85 21.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -172.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.9 tp -113.46 123.91 51.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.6 mt -94.16 123.22 37.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -111.02 107.75 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.3 mt -112.42 120.95 63.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.201 -169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.57 ' C ' HD13 ' A' ' 56' ' ' LEU . 3.4 tm? -103.86 118.33 36.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.961 -177.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -95.64 129.06 42.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.854 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.2 p -96.86 161.98 13.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -174.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -138.96 129.36 25.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.149 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.597 ' HA3' ' HB2' ' A' ' 63' ' ' GLU . . . 74.94 114.39 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.491 -177.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -57.12 -63.3 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 110.91 169.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.86 -33.9 75.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.911 177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.597 ' HB2' ' HA3' ' A' ' 60' ' ' GLY . 98.6 mt-10 -63.81 -27.17 69.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 -179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -69.73 74.93 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.988 172.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.1 p -94.92 -167.83 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -176.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.89 -31.93 63.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.081 179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.5 mmm -61.76 -33.71 74.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.793 176.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 72.6 mtt85 -95.6 -14.43 23.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.858 -178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -61.42 -19.34 61.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -47.41 -38.15 12.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.853 172.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -64.21 -25.88 68.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 -177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.21 -20.61 28.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.961 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -53.09 -30.06 34.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 175.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 75.2 p -64.16 -57.13 10.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.063 173.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.05 -11.37 29.26 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.511 154.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -66.82 -71.55 0.2 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.908 0.385 . . . . 0.0 110.915 -167.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.499 ' HA3' ' HG2' ' A' ' 110' ' ' PRO . . . -156.21 161.19 30.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.464 -170.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -131.83 131.59 42.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -169.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.7 tp -102.15 117.79 35.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 171.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 75.9 m -101.59 117.17 34.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.939 -175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.6 t -112.95 127.59 70.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 -176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' HB2' ' OG ' ' A' ' 89' ' ' SER . 22.1 p90 -133.73 166.65 22.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.402 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -103.5 138.89 39.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 177.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.4 HG22 ' HB2' ' A' ' 123' ' ' ARG . 47.4 mm -63.28 -16.08 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -178.448 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.402 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 16.4 p-10 -96.86 -2.46 43.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 176.695 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -111.53 80.53 1.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -176.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -62.59 -42.86 99.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 -176.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.46 -23.32 64.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -172.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.402 ' OG ' ' HB2' ' A' ' 82' ' ' PHE . 93.5 p -57.34 -26.72 61.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -65.57 -37.32 86.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.76 -38.98 84.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.57 -39.41 88.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.947 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.1 mt -65.04 -41.34 91.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.135 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -58.7 -45.45 89.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.834 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -61.38 -46.96 88.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.44 -38.96 85.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -58.11 -43.88 87.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.826 177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -67.36 -38.36 84.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.787 178.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -66.21 -47.58 73.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.921 -175.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 40.4 pt -65.73 -27.21 40.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 -176.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.12 -46.73 85.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 173.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.95 -39.74 72.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -178.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.32 -37.74 80.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.131 -178.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -97.22 3.86 51.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -176.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.19 42.38 6.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.838 -177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 93.6 p -178.15 167.86 1.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.45 84.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 173.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -143.19 72.32 1.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 154.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 26.9 m -123.23 149.59 57.93 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.64 0.733 . . . . 0.0 111.195 -170.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.499 ' HG2' ' HA3' ' A' ' 77' ' ' GLY . 37.3 Cg_endo -64.29 124.24 13.08 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.685 2.257 . . . . 0.0 112.332 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 99.2 mtp -144.7 141.8 29.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.3 t -134.97 139.27 47.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 42.4 tp -102.52 128.18 49.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.1 t -125.3 132.94 70.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.198 -177.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.02 125.39 7.01 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.532 178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -108.37 166.04 11.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.911 0.386 . . . . 0.0 110.92 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 68.24 40.01 2.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.0 m -76.63 -8.94 58.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 177.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -99.24 -2.71 35.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.1 tp -75.07 132.71 41.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.61 -48.12 70.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.145 -175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -86.94 75.67 9.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.137 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.4 ' HB2' HG22 ' A' ' 84' ' ' ILE . 33.1 ptt-85 -123.32 147.96 46.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 177.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.8 p -134.08 30.33 3.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.16 -164.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -125.69 113.49 34.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 168.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -73.52 134.96 43.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.975 172.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.0 p -62.94 -30.17 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 -175.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.33 -37.83 88.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.0 mt-30 -71.69 -44.58 63.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 175.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.64 -43.56 98.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.096 -175.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -70.14 -34.82 73.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.909 -176.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -67.89 -39.9 83.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.8 mt -65.29 -38.68 90.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 175.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.53 93.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 173.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -65.19 -37.51 87.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.838 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.6 p -68.42 -25.18 64.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -90.12 -6.16 55.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.871 177.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.76 24.36 72.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.512 177.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 42.6 pt -124.28 150.38 63.73 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.626 0.727 . . . . 0.0 111.123 -174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 139' ' ' ILE . 33.4 Cg_exo -62.37 147.2 95.31 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.685 2.256 . . . . 0.0 112.324 177.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -112.96 120.69 42.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 173.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.6 mt -127.3 129.05 70.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 -178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -97.04 139.36 33.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.806 176.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.24 161.97 36.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 -177.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 47.3 t -129.24 116.74 19.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.878 172.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.11 -23.98 50.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 -178.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.429 ' HG2' HG23 ' A' ' 148' ' ' THR . 85.3 tttt -59.49 -66.07 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 -174.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.429 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.3 p -139.36 -45.57 0.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 71.3 ttp85 -68.84 106.14 2.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -170.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -86.42 114.55 23.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.93 -170.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -106.58 3.3 36.73 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.432 160.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.13 -48.89 81.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.784 0.326 . . . . 0.0 111.091 -176.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -57.61 -48.96 77.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.859 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.86 -41.15 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.19 -48.02 80.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -176.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -71.37 -43.0 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.2 m-30 -68.41 -37.33 80.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.925 -178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 54.0 m -59.86 -44.28 94.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.208 170.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 37.7 tp -60.47 -38.71 85.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.489 ' O ' HG22 ' A' ' 163' ' ' ILE . 54.9 t -67.55 -36.53 76.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.136 175.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.42 -39.42 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.81 174.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -68.84 -44.06 74.19 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.489 HG22 ' O ' ' A' ' 160' ' ' VAL . 18.7 tt -65.19 -27.02 41.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -65.72 -25.6 67.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 -103.29 -19.96 14.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . 0.464 ' O ' ' CG ' ' A' ' 166' ' ' HIS . 84.4 t60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.8 m -63.09 129.99 42.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 175.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -117.82 134.59 54.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -112.01 112.74 24.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -101.13 98.78 9.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 mt -107.2 135.66 48.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -170.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.9 t -109.55 127.01 66.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -102.19 125.58 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.172 -176.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -130.17 162.62 37.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 -176.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.8 165.21 16.28 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.544 175.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 161.63 30.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.704 0.287 . . . . 0.0 111.204 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -70.53 137.15 27.05 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.564 -178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -5.29 5.3 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.5 m -117.19 175.28 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 0.0 111.106 174.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -109.28 59.43 0.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.523 -172.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.429 ' HG3' HG23 ' A' ' 14' ' ' VAL . 4.5 mtmp? -53.25 -42.34 66.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -175.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 96.6 p -69.66 -42.94 73.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.805 179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.11 -40.69 94.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -176.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.44 -41.47 89.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 70.0 m -60.85 -43.33 98.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.4 mt -67.55 -33.98 65.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.114 -176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -58.55 -46.85 86.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.2 tp -65.74 -46.51 78.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 49.4 mm -81.32 -40.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 -169.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -107.96 -9.01 15.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -171.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 65.0 37.72 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -157.95 145.25 18.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 -179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -84.96 117.05 23.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -132.2 108.54 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.13 -179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -87.75 4.39 44.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -38.56 127.88 1.47 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 173.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -113.68 144.01 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.913 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -140.42 106.29 6.56 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.658 0.742 . . . . 0.0 110.823 -179.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -74.78 138.48 23.66 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.576 2.184 . . . . 0.0 112.369 -172.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 52.7 m 67.71 13.37 9.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 170.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.5 mt -134.33 115.06 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.125 174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -67.88 156.89 36.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 171.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -129.01 130.09 46.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 -174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.4 t -116.95 132.71 56.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -127.73 143.45 51.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -126.65 137.38 53.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.831 -174.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -147.28 132.61 18.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 173.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -74.92 122.33 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -135.59 164.98 31.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 -173.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.0 t -114.8 115.72 50.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 171.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 76.4 mt -115.36 117.65 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.066 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 55.08 40.72 32.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -178.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.98 -6.45 70.85 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 175.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -96.64 127.21 42.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.825 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 97.1 m -85.97 125.0 33.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.12 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.4 p -151.7 168.8 23.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -170.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 60.9 tp -106.55 121.2 43.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.0 tp -95.22 113.63 25.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -112.79 112.13 23.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.3 mt -108.03 125.84 64.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 -175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 tp -115.53 123.38 48.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.21 121.61 28.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.82 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.4 p -133.52 170.41 15.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -176.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -89.61 127.07 35.85 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 -175.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.25 37.42 3.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.524 173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -99.33 158.41 15.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.895 -176.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.64 -30.46 68.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 174.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -95.75 11.71 32.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -42.4 143.3 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.978 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.3 t -88.98 142.73 27.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -164.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -52.67 -26.79 14.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 166.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -60.8 -23.31 64.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -102.29 -27.86 12.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 176.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -59.42 -34.85 72.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 176.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.7 pt20 -58.08 -35.23 71.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.911 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -74.13 -33.33 63.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.969 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 94.9 mtp -62.28 -20.89 64.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.896 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -50.01 -22.34 1.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 169.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 47.6 m -50.74 -48.7 58.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.092 175.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.91 -31.89 6.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.44 159.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -44.75 -72.34 0.06 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.966 -171.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -178.51 -175.88 45.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.522 -174.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -136.07 137.27 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.026 0.441 . . . . 0.0 110.803 -169.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 62.2 tp -101.71 120.02 39.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.974 170.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 85.1 m -103.64 116.61 32.66 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.3 t -110.42 126.84 67.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -140.89 170.93 14.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.89 177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.81 140.91 41.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.089 177.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 10.9 tp -58.55 -22.24 20.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -93.45 4.66 53.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.914 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.447 ' HB3' ' OG ' ' A' ' 89' ' ' SER . 86.6 m-20 -109.11 89.49 3.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 82.4 m -61.67 -49.53 76.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 176.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.02 -34.74 70.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.94 -176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.447 ' OG ' ' HB3' ' A' ' 86' ' ' ASN . 61.8 m -56.7 -31.16 64.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -177.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 57.8 m-85 -66.1 -40.18 90.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.19 -37.05 64.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -64.91 -40.67 95.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -178.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.6 mt -65.02 -40.08 87.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.133 177.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -64.6 -47.82 77.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -64.97 -46.55 81.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -57.97 -41.51 83.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.5 ttp85 -62.23 -44.5 96.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.895 -178.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -69.3 -36.37 76.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 -177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -67.3 -48.7 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.9 pt -67.17 -26.36 36.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -64.96 -44.33 89.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.904 172.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.07 -37.87 88.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 68.8 t -68.83 -40.53 81.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.2 mmtt -95.21 6.01 50.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -175.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' SER . 32.0 t0 75.82 104.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -175.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.5 t -36.86 125.37 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.798 -177.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -165.16 161.62 19.57 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -172.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -73.8 104.97 4.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 172.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.9 t -116.76 130.52 24.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.642 0.734 . . . . 0.0 111.125 -175.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.55 122.64 9.92 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.621 2.214 . . . . 0.0 112.374 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 56.6 mtt -149.42 149.49 30.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.789 -175.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.0 t -132.27 136.02 57.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 171.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.407 ' HG ' HG21 ' A' ' 139' ' ' ILE . 45.9 mt -104.18 124.45 49.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.994 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.98 131.13 73.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.92 121.56 5.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -100.06 165.3 11.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.878 0.371 . . . . 0.0 110.939 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 65.84 37.17 5.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.898 176.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 97.8 m -74.49 -6.65 49.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 176.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -98.89 5.17 47.47 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.837 175.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 56.9 tp -82.41 140.1 33.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 177.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.55 -49.57 13.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -176.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.39 81.68 6.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.118 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 49.8 ptt85 -117.51 150.25 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 174.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -114.93 16.76 17.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 60.0 t -133.33 120.77 40.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 176.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -68.71 143.93 54.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.867 169.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.5 m -60.29 -33.64 72.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.873 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.31 -41.91 94.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.843 177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -68.96 -46.4 68.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.91 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.015 -177.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -65.95 -42.59 89.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.967 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.34 -39.22 93.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.4 mt -61.85 -44.85 95.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 176.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.55 -39.6 94.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.04 176.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -64.13 -39.28 93.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.4 p -69.66 -24.71 63.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -88.67 -6.31 57.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 176.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.57 21.86 77.78 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.465 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.407 HG21 ' HG ' ' A' ' 113' ' ' LEU . 98.4 mt -112.98 131.96 22.56 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.608 0.718 . . . . 0.0 111.201 -174.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -51.12 135.91 45.12 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.721 2.281 . . . . 0.0 112.322 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 62.7 t80 -110.44 119.59 39.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.859 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.5 mt -123.74 123.8 67.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 -178.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -95.56 140.87 29.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 172.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -148.86 171.22 16.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 13.6 t -137.13 110.07 7.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 169.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.61 -22.56 45.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -172.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.66 -50.57 24.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -173.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 82.1 p -107.16 -24.87 11.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.094 -165.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.2 mmt-85 -141.39 140.52 33.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.899 -172.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -82.73 110.14 17.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -97.22 -6.39 57.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.579 167.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.3 t -63.9 -51.73 65.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.317 . . . . 0.0 111.132 -174.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -63.38 -49.55 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -174.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -60.84 -40.18 91.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.15 94.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.046 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -66.51 -40.76 89.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.2 m-30 -64.96 -40.74 95.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 86.6 m -59.57 -45.09 92.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.089 174.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 58.6 tp -56.91 -44.47 82.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 174.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 48.5 t -60.78 -44.22 96.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.048 178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.32 -39.74 94.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -177.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -68.69 -37.83 79.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.932 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.55 -38.82 79.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 174.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -62.55 -25.66 68.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -90.2 -7.17 54.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.884 177.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.2 m -57.86 131.41 50.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -113.63 132.29 55.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -113.89 119.04 35.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 65.4 mttm -101.71 112.64 25.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -176.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 79' ' ' LEU . 51.6 tp -100.08 129.51 46.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.2 t -107.33 120.94 59.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.8 t -102.72 125.71 57.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 -174.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 32.1 m -133.27 162.9 39.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.178 -176.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.58 ' H ' ' HA3' ' A' ' 60' ' ' GLY . . . 157.09 154.77 7.19 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.513 ' HB3' ' HA ' ' A' ' 89' ' ' SER . . . -71.02 167.84 18.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.785 0.326 . . . . 0.0 111.131 -177.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.43 137.14 30.62 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.457 -173.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 135.77 -2.32 3.68 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.538 173.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.1 m -122.48 178.67 2.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.86 0.362 . . . . 0.0 111.073 175.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -108.87 60.65 0.32 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.588 -174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -52.44 -48.26 65.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.852 0.358 . . . . 0.0 110.838 -175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.6 p -65.62 -40.52 92.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.61 -39.88 92.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -176.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.1 mt -66.75 -42.2 86.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 54.4 m -61.71 -43.79 98.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.101 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.7 mt -67.23 -38.79 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.102 -177.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -59.74 -47.52 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.1 tp -63.04 -44.56 95.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -178.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' HB3' ' A' ' 40' ' ' TYR . 51.0 mm -83.4 -40.45 16.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.119 -172.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -106.37 -6.93 17.94 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -170.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.68 35.09 7.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 177.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -156.24 139.7 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.85 115.96 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -178.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.5 t -131.26 107.48 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -171.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 56.1 p30 -82.05 5.51 19.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -172.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -37.94 127.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 176.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -110.35 141.48 43.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -138.28 107.83 8.0 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -74.14 132.92 17.25 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.351 -170.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.1 m 65.81 9.99 6.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 167.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 93.8 mt -128.5 121.49 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' H ' ' CD ' ' A' ' 37' ' ' GLU . 17.4 pm0 -72.16 158.7 35.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 174.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.57 124.28 17.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.878 -175.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.6 t -110.42 138.76 46.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' HB3' HG21 ' A' ' 24' ' ' ILE . 96.3 m-85 -129.72 142.2 50.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.972 173.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.9 137.93 54.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.911 -172.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -146.26 130.77 17.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.89 122.11 22.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.895 175.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.412 HG23 ' SG ' ' A' ' 51' ' ' CYS . 33.8 m -136.4 162.7 35.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -173.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 85.8 t -118.97 120.9 65.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.9 mt -117.72 118.99 60.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 53.98 40.08 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.07 -4.41 83.23 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.554 176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -97.35 127.04 42.97 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.874 0.369 . . . . 0.0 110.884 177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.7 m -84.45 122.94 29.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.412 ' SG ' HG23 ' A' ' 44' ' ' VAL . 30.7 p -150.14 169.22 21.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.927 -170.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.8 tp -104.98 127.1 52.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.991 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.2 tp -93.29 109.86 21.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.859 174.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -114.31 109.82 18.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.9 mt -106.44 123.68 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -177.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 52.1 tp -115.2 123.78 49.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.908 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -84.88 124.3 31.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.883 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 65.5 p -131.44 167.59 19.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 -177.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.35 122.18 20.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.126 -176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' ' H ' ' A' ' 10' ' ' GLY . . . -89.9 19.98 38.59 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.484 168.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -92.46 153.95 18.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 -175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.44 -25.25 65.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.945 174.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -81.2 3.55 23.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.888 -178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 36.0 p90 -41.35 140.12 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 t -104.97 155.58 18.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -165.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -53.11 -27.92 22.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 164.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.24 -24.79 63.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 173.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -97.93 -35.57 10.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 176.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.466 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 95.2 m-20 -57.0 -32.75 66.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.8 -178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.2 pt20 -57.05 -34.99 68.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -74.9 -34.81 62.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 175.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.42 -22.47 63.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.891 178.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -50.09 -22.21 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 170.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 40.3 m -50.29 -50.1 51.45 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.174 174.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.81 13.31 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.464 158.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -43.56 -77.28 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.896 0.379 . . . . 0.0 110.929 -178.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.9 -174.31 40.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.494 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -134.41 134.24 41.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.958 0.409 . . . . 0.0 110.775 -173.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.495 ' HB2' HD11 ' A' ' 6' ' ' LEU . 59.2 tp -101.93 118.07 36.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.969 171.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 81.7 m -106.66 117.42 34.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -173.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 97.1 t -110.29 128.67 66.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 -174.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -140.88 172.2 13.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 172.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -111.41 145.01 39.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.056 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 118' ' ' CYS . 41.9 pt -66.59 -14.48 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -178.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -101.78 -0.67 33.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 175.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 81.1 m-20 -109.95 83.79 1.82 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 72.5 m -61.43 -47.53 85.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.142 178.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.6 tttm -62.45 -38.17 88.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.513 ' HA ' ' HB3' ' A' ' 11' ' ' ALA . 70.8 m -63.42 -37.35 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.787 -178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -70.29 -43.2 70.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.54 -41.16 80.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.83 -174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -64.23 -28.41 69.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 -175.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.14 -38.47 68.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 178.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -66.63 -45.0 80.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -62.11 -45.65 92.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -55.65 -40.73 72.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.949 172.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -63.0 -43.48 98.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -70.86 -35.98 72.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -174.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -70.29 -44.83 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 50.1 pt -66.65 -24.7 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -63.94 -40.42 96.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -65.3 -38.11 89.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -177.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.7 t -70.18 -40.53 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 105' ' ' ASP . 75.0 mmtt -95.16 5.76 50.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.923 -174.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.439 ' HB3' ' O ' ' A' ' 104' ' ' LYS . 44.8 t0 74.24 105.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 -177.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 105' ' ' ASP . 47.2 t -36.93 127.65 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.824 -176.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -164.96 161.27 19.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 -171.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -73.47 105.96 5.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 171.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.4 t -120.64 132.78 24.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.687 0.756 . . . . 0.0 111.119 -174.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_exo -51.18 123.49 12.03 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.268 . . . . 0.0 112.283 178.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.8 mtm -149.52 149.35 30.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.836 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.9 t -134.03 138.75 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.11 172.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 63.5 mt -103.09 126.25 50.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.943 174.415 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.3 t -122.48 134.05 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 -176.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.15 117.12 4.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.418 175.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -93.26 160.35 14.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.853 0.358 . . . . 0.0 110.95 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 64.41 38.24 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.439 ' HA ' HD13 ' A' ' 84' ' ' ILE . 21.7 p -67.4 -12.41 60.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -178.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 59.2 p30 -95.33 4.79 53.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.972 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.9 tp -77.87 135.92 37.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 173.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.26 -46.85 16.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 -174.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.7 90.17 7.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.061 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -113.22 156.59 23.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.844 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 72.3 p -121.29 8.44 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.163 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.31 105.74 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 169.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -67.72 140.66 56.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.4 m -55.59 -42.68 75.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.878 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.37 -42.66 96.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.903 -179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -67.93 -48.5 65.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.55 96.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.079 -176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -65.33 -46.56 79.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.4 -38.11 88.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 -178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 71.5 mt -63.3 -45.92 89.11 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.826 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 139' ' ' ILE . . . -61.38 -39.79 91.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 175.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -64.52 -37.13 86.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 83.2 p -65.77 -23.7 66.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.934 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -99.79 -0.37 39.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.34 20.67 79.4 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.425 ' O ' ' HB1' ' A' ' 134' ' ' ALA . 93.9 mt -108.07 130.06 23.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 111.15 -176.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_exo -54.79 139.65 77.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -114.35 119.55 37.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.61 127.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.109 -176.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.88 142.83 29.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.5 163.15 33.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.215 -177.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 16.1 t -132.47 107.82 8.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.937 171.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.32 -23.41 15.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 -172.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.44 -42.26 15.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 -174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 70.7 p -117.05 -37.34 3.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.133 -160.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.6 mmt-85 -139.61 129.03 24.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 -172.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 22.7 mp0 -87.52 115.75 25.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.952 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.57 -1.69 29.18 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.548 171.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.12 -46.61 87.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.781 0.324 . . . . 0.0 111.098 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.38 -49.4 75.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.72 -39.84 90.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.087 177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -63.47 -43.51 97.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.92 176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 14.3 m-30 -61.13 -42.73 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 90.8 m -58.21 -45.63 87.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.114 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 62.0 tp -58.17 -45.05 88.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.886 175.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 49.3 t -61.87 -43.19 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 93.0 mtt-85 -62.66 -38.97 92.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -65.38 -39.6 92.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.842 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.58 -43.19 98.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.149 175.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -64.02 -28.48 69.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -176.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 63.5 mm-40 -90.03 -19.27 24.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 -178.554 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.817 0.342 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 61.7 m -59.3 125.25 22.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.141 -178.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.537 ' HG2' ' HB3' ' A' ' 52' ' ' LEU . 96.8 mt-10 -118.81 141.37 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.788 177.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -118.52 136.09 54.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.982 178.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -110.82 104.49 13.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.935 175.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 54.1 tp -105.33 129.69 53.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.826 -173.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 92.5 t -111.63 124.58 68.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.094 174.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.2 t -104.04 129.31 56.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.128 -178.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -131.1 161.71 40.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.068 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.6 161.3 10.78 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.51 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.44 160.78 30.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.827 0.346 . . . . 0.0 111.146 -174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.87 136.82 35.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.566 -178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.33 -12.15 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.539 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.5 m -115.13 173.03 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.888 0.375 . . . . 0.0 111.146 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -100.05 58.85 0.76 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.66 -51.66 54.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.733 0.302 . . . . 0.0 110.868 177.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 70.6 m -64.63 -41.29 96.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.844 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.15 -43.98 95.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.997 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.78 -42.68 94.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -174.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.466 ' O ' HG12 ' A' ' 24' ' ' ILE . 77.9 p -67.95 -33.23 74.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 -178.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 95.4 mt -71.66 -46.62 61.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.091 177.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -62.86 -37.95 88.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.955 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -66.0 -29.91 70.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.917 -178.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.592 HG13 ' HB3' ' A' ' 40' ' ' TYR . 50.7 mm -71.83 -31.63 41.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -111.72 -5.45 14.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.912 -172.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 55.03 47.15 22.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 -177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -154.93 151.97 29.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -172.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -81.88 115.95 21.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.4 t -129.59 130.42 67.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -171.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -103.64 -20.26 14.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 176.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -40.87 135.09 1.78 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.833 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -91.93 131.85 36.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.878 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.499 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.3 p30 -69.21 170.6 8.51 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.571 0.701 . . . . 0.0 110.859 -177.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.499 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 69.7 Cg_exo -54.96 156.89 14.34 Favored 'Trans proline' 0 C--O 1.231 0.132 0 C-N-CA 122.704 2.269 . . . . 0.0 112.367 179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p -67.65 -12.12 59.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 pt -109.0 161.2 7.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 177.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.1 mp0 -54.02 141.68 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -146.89 100.06 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.829 -175.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 91.8 p -80.05 150.45 30.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.592 ' HB3' HG13 ' A' ' 24' ' ' ILE . 98.5 m-85 -127.66 147.05 50.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.961 177.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -123.96 138.71 54.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -148.64 130.76 15.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -86.63 123.98 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.92 177.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.46 164.99 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 -174.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 83.0 t -111.15 116.96 53.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 170.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.3 mt -125.24 124.69 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.161 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.8 t0 60.57 32.83 20.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -177.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.4 -6.57 63.86 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.416 178.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -101.44 127.53 48.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.838 0.351 . . . . 0.0 110.948 -178.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 86.4 m -84.35 127.61 34.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.071 178.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.8 p -148.74 165.5 31.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.537 ' HB3' ' HG2' ' A' ' 3' ' ' GLU . 57.1 tp -111.55 122.74 48.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 175.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.1 mt -97.3 117.76 32.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.905 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -107.28 106.53 17.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 74.5 mt -114.71 126.47 72.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 -169.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.5 tp -124.33 123.0 39.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -87.96 133.23 33.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.5 m -115.26 136.05 53.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.196 177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -143.62 139.95 29.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.147 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.67 101.92 2.57 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.537 177.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -84.8 13.22 6.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.324 . . . . 0.0 110.835 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -83.75 -50.06 8.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.888 -177.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -97.27 -5.83 35.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -45.4 115.1 0.86 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 95.0 p -144.78 -170.91 3.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.751 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.49 -24.66 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.088 174.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -60.46 -33.39 72.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 177.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -90.93 -29.83 17.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.868 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.25 -28.01 50.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.901 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -57.24 -34.27 68.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.961 177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -72.26 -39.92 68.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.89 176.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 57.3 mtt -65.06 -25.31 67.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -52.46 -28.19 19.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 176.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 93.6 m -54.5 -53.93 47.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.29 -13.48 50.48 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 163.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -45.21 -70.13 0.11 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.013 0.435 . . . . 0.0 110.888 -177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.38 163.02 36.81 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.546 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -130.31 133.1 46.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -176.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -104.36 120.18 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.6 m -105.39 117.15 33.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.888 -175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG22 ' CG2' ' A' ' 114' ' ' VAL . 61.2 t -113.16 129.55 68.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -174.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.454 ' HB3' ' CD1' ' A' ' 93' ' ' ILE . 47.3 p90 -135.33 165.77 24.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 176.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -95.98 140.38 30.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 176.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.595 HG22 ' O ' ' A' ' 84' ' ' ILE . 92.1 mt -71.26 -4.28 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.174 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -102.73 -25.56 13.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 174.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.506 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t-20 -89.93 100.03 12.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.815 -174.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -64.48 -43.12 95.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.158 177.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.38 -29.08 68.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -173.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.2 m -60.17 -31.48 70.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.474 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 4.6 m-30 -60.07 -46.09 90.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.898 -177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -73.68 -38.41 64.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -178.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.66 -39.05 93.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.837 -174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.454 ' CD1' ' HB3' ' A' ' 82' ' ' PHE . 82.8 mt -65.72 -39.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.122 178.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -60.35 -41.06 92.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 177.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -62.52 -44.1 97.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.98 -40.14 83.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.615 ' NH1' ' HB3' ' A' ' 137' ' ' TYR . 78.2 ttt180 -58.78 -45.25 90.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.818 178.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.57 -37.51 87.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -66.21 -40.51 90.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.982 179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.88 -45.04 98.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.156 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.26 -40.56 96.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -177.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.59 -39.93 88.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.93 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.4 t -64.39 -32.89 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -83.19 -3.05 56.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 41.9 43.64 2.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 177.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 99.3 p -166.29 177.21 6.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -173.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 55.1 p30 -53.78 172.34 0.08 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.832 176.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -70.07 173.71 6.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 -171.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.7 m -129.23 159.93 66.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.525 0.678 . . . . 0.0 111.124 -169.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -52.22 126.63 20.99 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.647 2.231 . . . . 0.0 112.374 177.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 17.9 ttt -148.05 142.62 26.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.2 t -131.16 136.33 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.131 176.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.429 ' HG ' HG21 ' A' ' 139' ' ' ILE . 37.7 mt -104.26 125.57 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.025 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.439 ' CG2' HG22 ' A' ' 81' ' ' VAL . 22.9 m -125.18 142.5 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.204 177.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.92 126.28 7.42 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.554 176.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -98.3 166.08 11.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.809 0.338 . . . . 0.0 110.885 -175.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 86.5 mttt 72.04 35.08 1.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 25.8 t -74.63 -28.45 60.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -121.85 -17.16 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.79 177.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.42 -55.4 35.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.882 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -153.8 156.9 38.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.039 -170.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -58.36 149.86 23.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' N ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -134.13 -177.64 4.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.86 -171.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 47.9 p -133.05 30.45 3.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -178.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 60.3 t -133.14 130.72 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 172.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.429 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.5 tt0 -73.16 134.79 44.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.0 m -58.26 -33.58 69.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.429 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.94 -35.75 81.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.88 -47.03 55.64 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.29 -42.93 99.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.102 -175.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -70.09 -34.65 73.41 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -178.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -65.59 -39.94 92.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.61 -45.06 94.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.68 91.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 177.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.95 -34.82 78.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.0 m -65.01 -28.25 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.615 ' HB3' ' NH1' ' A' ' 97' ' ' ARG . 46.5 m-85 -97.23 -0.11 47.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.92 24.63 75.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 174.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.429 HG21 ' HG ' ' A' ' 113' ' ' LEU . 47.7 mm -112.84 133.86 21.86 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.601 0.715 . . . . 0.0 111.238 -175.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -51.37 136.02 47.15 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -114.66 118.88 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -176.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.98 130.11 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.153 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -97.36 136.04 38.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 174.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.3 t -148.34 174.22 12.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.7 t -146.34 110.55 5.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.818 174.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -59.32 -23.67 62.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.111 -171.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.86 -39.99 87.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 60.1 p -114.62 -21.6 10.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.138 -167.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 62.0 ttt180 -149.45 140.48 22.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -171.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -86.73 117.56 25.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.92 170.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.59 -0.5 46.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.539 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.6 -46.95 88.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 0.0 111.106 -175.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -64.46 -46.74 81.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -61.18 -43.27 99.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.81 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.74 95.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.062 176.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -62.29 -42.68 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.835 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -60.89 -43.06 99.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 89.9 m -59.94 -43.2 95.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.203 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 61.8 tp -58.06 -43.38 86.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.36 -40.01 84.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.03 -42.72 94.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 176.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -66.94 -37.23 83.91 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 93.3 mt -64.02 -44.12 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.149 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -69.79 -31.07 68.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -176.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -96.65 -7.66 33.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 175.829 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 ttp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.819 0.343 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -63.86 130.86 45.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.147 -177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -117.02 135.26 53.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -114.03 125.72 54.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.98 178.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -108.42 109.72 21.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.859 -173.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 159' ' ' LEU . 58.1 mt -101.57 133.44 46.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -177.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 90.1 t -114.79 122.41 68.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.168 170.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.422 HG22 ' HB2' ' A' ' 79' ' ' LEU . 86.6 t -103.84 126.28 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.194 -174.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.91 161.83 40.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 -178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.44 176.35 35.32 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.513 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.48 155.53 31.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.909 0.385 . . . . 0.0 111.102 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -71.13 143.97 36.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.564 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 125.29 -20.61 6.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.468 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG23 ' HG3' ' A' ' 16' ' ' LYS . 34.4 m -105.27 172.23 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.919 0.39 . . . . 0.0 111.091 175.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.37 58.1 1.66 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.433 -171.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.439 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.6 mtmt -55.0 -49.36 71.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.759 0.314 . . . . 0.0 110.892 179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.1 m -68.76 -41.34 78.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.2 94.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.013 -175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.9 mt -68.06 -40.38 82.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.903 -172.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 76.6 p -64.66 -34.07 77.42 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -67.98 -38.52 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.098 178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -61.94 -39.22 91.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -170.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' HB2' HG11 ' A' ' 152' ' ' VAL . 49.1 tp -67.05 -36.29 81.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.921 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.85 -30.06 48.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.112 -176.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -117.55 2.45 12.37 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -174.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 49.57 50.67 17.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -155.69 152.51 28.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -173.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -80.07 116.79 20.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.804 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -132.98 125.52 52.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.066 -171.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -104.28 -19.83 13.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 172.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -40.56 133.67 1.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -89.91 133.13 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.522 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 41.7 p30 -69.9 171.17 7.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.607 0.717 . . . . 0.0 110.851 -179.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.522 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 77.7 Cg_exo -54.95 160.61 7.56 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.35 -179.34 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.4 p -64.84 -15.11 61.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.819 -174.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.78 160.0 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -56.44 142.05 40.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.927 -175.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -139.64 101.64 4.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.886 -176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.3 p -79.49 150.74 31.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.78 149.69 51.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.959 178.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -124.56 138.1 54.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.798 177.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -147.29 131.81 17.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.84 175.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -77.54 122.05 24.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -136.54 163.27 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 -172.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.33 116.01 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.101 171.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 85.1 mt -119.62 120.97 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.232 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 60.35 35.13 20.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.48 -7.61 64.3 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.429 176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -101.68 131.72 47.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.837 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.8 m -84.6 128.22 34.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.018 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -150.37 170.02 20.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -172.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 61.5 tp -104.42 121.82 44.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 175.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 33.5 tp -101.07 112.02 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -108.46 112.25 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.8 mt -112.88 125.11 70.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.049 -171.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 ' C ' HD23 ' A' ' 56' ' ' LEU . 9.8 tt -125.35 117.34 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.924 176.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.24 144.92 27.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.916 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -114.07 137.99 51.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.64 148.71 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.26 97.44 0.19 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.537 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.1 pm0 -89.8 29.46 1.17 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.781 0.324 . . . . 0.0 110.963 175.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -87.47 -47.41 8.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.895 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -97.56 -3.19 40.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.973 178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -49.58 109.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.914 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.9 p -135.16 -166.74 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 176.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.76 -23.1 40.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.069 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -60.22 -31.04 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.814 176.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -92.81 -27.08 17.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -57.28 -25.55 59.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -55.93 -34.45 65.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.932 175.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -69.21 -39.91 78.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 175.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.0 mtt -65.81 -24.75 66.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.837 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -54.64 -27.12 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 79.5 m -52.25 -52.15 54.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.31 -11.6 49.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.483 160.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -54.79 -72.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.872 0.368 . . . . 0.0 110.912 -175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.805 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -154.76 154.98 25.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 176.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -128.91 133.26 47.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.928 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 ' HA ' ' A' ' 79' ' ' LEU . 3.2 mm? -99.75 129.86 45.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 74.8 m -107.99 112.17 24.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 178.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.75 126.04 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -133.22 167.27 20.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 178.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.462 ' HB3' ' HB2' ' A' ' 86' ' ' ASN . . . -96.32 136.79 36.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 172.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.438 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 9.0 tp -67.1 -8.34 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -94.59 -23.0 17.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 83' ' ' ALA . 95.4 m-20 -99.56 101.67 12.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.853 -170.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.6 m -62.33 -42.06 99.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 172.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.73 -26.53 68.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -172.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.5 m -55.03 -34.9 63.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.825 -179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -65.16 -38.6 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -178.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.8 -41.84 82.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.09 -36.99 83.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.824 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 86.5 mt -64.43 -40.19 88.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.143 175.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -60.6 -41.16 94.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 175.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -60.61 -45.27 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.961 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -58.57 -40.84 84.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -58.21 -46.58 85.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.852 179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.38 -40.04 77.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.872 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 99' ' ' GLN . 17.1 mt-30 -66.42 -42.52 87.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 89.0 mt -62.59 -40.13 87.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.172 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.12 -42.03 93.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.72 -39.84 84.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.867 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.14 -33.55 63.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.165 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -78.2 -13.58 59.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 49.46 46.21 23.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.8 t -169.83 -174.4 1.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -175.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -53.57 157.31 2.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 168.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 48.0 p30 -70.15 -168.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -172.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -121.89 159.75 49.99 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.676 0.75 . . . . 0.0 111.057 -158.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 39.3 Cg_endo -60.84 128.03 24.29 Favored 'Trans proline' 0 N--CA 1.465 -0.206 0 C-N-CA 122.723 2.282 . . . . 0.0 112.368 172.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 70.2 mtm -141.01 152.39 44.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -168.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.3 t -133.12 135.23 57.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.147 166.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.405 ' HG ' HG21 ' A' ' 139' ' ' ILE . 18.0 mt -101.44 123.91 46.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.33 131.43 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.52 125.36 7.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.539 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -100.09 169.89 8.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.931 -174.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 88.8 mttt 70.59 33.72 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.893 171.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 99.5 m -78.92 -25.24 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 176.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -126.15 -13.37 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.4 tt -62.27 -47.0 86.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.95 -178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -154.53 153.52 31.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.019 -175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.56 143.81 6.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 174.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.59 160.87 34.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -170.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 53.0 p -127.01 37.3 4.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 -175.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.438 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 50.0 t -134.5 129.65 52.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 169.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.4 tt0 -73.0 135.32 44.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 48.4 m -56.75 -34.9 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.427 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -62.02 -39.17 91.38 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.936 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -68.28 -47.23 68.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 178.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.51 98.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -175.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -71.69 -32.25 67.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.87 -177.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -64.48 -40.14 95.13 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 174.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 88.2 mt -64.58 -42.43 95.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 177.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.97 -45.66 84.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -72.43 -26.2 61.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.4 p -66.39 -23.14 66.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -101.07 0.02 37.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.842 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.61 26.58 71.24 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.405 HG21 ' HG ' ' A' ' 113' ' ' LEU . 79.7 mt -109.88 131.44 21.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.626 0.727 . . . . 0.0 111.172 -175.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -51.21 136.33 46.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.652 2.235 . . . . 0.0 112.33 177.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -111.69 117.43 32.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.003 -175.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 86.8 mt -125.01 129.19 73.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.08 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -99.8 138.04 37.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.882 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.5 t -149.0 166.48 28.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.149 178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 23.1 t -140.63 110.27 6.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 173.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -58.58 -23.91 59.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.053 -170.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -57.94 -49.37 77.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 -174.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 68.8 p -126.52 -16.28 5.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.172 -173.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -124.25 123.71 40.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -168.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -84.85 111.55 19.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.988 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -102.86 -1.72 49.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.402 HG11 ' HB2' ' A' ' 23' ' ' LEU . 72.3 t -62.84 -47.95 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 111.131 -173.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.41 -49.28 77.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.33 -46.27 90.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.1 -49.0 71.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 -176.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -68.63 -44.04 75.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.947 -174.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -70.06 -36.49 75.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 -176.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 59.1 m -60.32 -41.16 92.91 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.148 172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.805 HD11 ' HA3' ' A' ' 77' ' ' GLY . 3.4 tm? -60.48 -40.96 93.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.59 -39.34 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.2 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.48 -36.37 83.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 175.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -65.02 -35.88 82.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.841 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 95.2 mt -64.08 -40.37 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 170.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -61.55 -32.18 72.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -89.73 -6.21 56.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 178.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.869 0.366 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -59.78 129.93 44.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.147 175.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -114.66 137.04 52.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -113.08 127.96 56.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.959 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -110.93 97.46 6.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 -179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 74.8 mt -113.41 135.71 53.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.845 -169.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.3 t -113.82 130.7 67.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.03 -173.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 61.9 t -103.12 127.01 57.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -127.92 160.46 37.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.36 169.63 26.0 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.541 177.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -79.69 161.2 25.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.802 0.334 . . . . 0.0 111.116 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.02 138.62 31.41 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.578 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 133.58 -11.13 4.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.433 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.6 m -116.73 176.26 2.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 174.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.13 57.87 0.62 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.422 -171.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HG3' HG23 ' A' ' 14' ' ' VAL . 45.5 mtmt -54.78 -50.04 69.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.772 0.32 . . . . 0.0 110.89 -177.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 69.0 m -68.49 -40.57 80.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.38 96.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 -177.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.2 mt -65.1 -40.33 94.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -174.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 80.7 p -68.83 -32.29 71.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.08 -45.09 91.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 172.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 80.7 mt-30 -62.31 -39.41 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -173.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' HB2' HG11 ' A' ' 152' ' ' VAL . 61.5 tp -62.53 -46.42 88.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.04 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.645 HG12 ' HB3' ' A' ' 40' ' ' TYR . 1.4 mp -72.5 -29.92 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.111 -172.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -104.09 -3.15 24.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.876 -176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 54.29 47.0 24.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.414 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 76.3 t60 -157.48 151.82 24.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -173.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -79.03 116.62 19.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.8 t -132.83 130.11 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 -168.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -105.47 -19.27 13.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.818 171.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -39.87 135.32 1.29 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -89.08 127.79 35.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.955 -177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.523 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 39.4 p30 -67.95 171.58 5.32 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.587 0.708 . . . . 0.0 110.876 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.523 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 71.5 Cg_exo -54.27 159.47 7.94 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.629 2.22 . . . . 0.0 112.335 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.9 p -69.07 -11.34 60.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -174.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -111.75 165.64 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.123 178.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 60.5 mp0 -55.05 148.93 12.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -150.12 101.12 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 88.8 p -79.93 152.71 29.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.645 ' HB3' HG12 ' A' ' 24' ' ' ILE . 97.8 m-85 -129.95 145.6 51.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.987 178.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -125.25 137.47 54.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.777 -179.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -142.03 131.73 24.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.933 175.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -76.67 122.31 24.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 173.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.5 m -137.07 164.86 29.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -172.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.6 t -112.96 116.74 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.189 171.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -118.72 120.04 62.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.266 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 59.23 37.52 23.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 -7.42 71.54 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.451 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.9 132.32 45.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.861 0.363 . . . . 0.0 110.887 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.8 m -86.56 125.05 33.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 176.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -150.38 169.87 20.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -167.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.9 tp -109.39 123.19 48.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 175.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.9 tp -99.38 113.26 25.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -111.45 111.38 22.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.9 mt -113.04 126.43 70.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.07 -173.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.6 tp -116.73 117.36 29.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 173.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.7 p-10 -96.78 143.93 27.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 178.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.0 m -106.93 134.73 49.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -141.16 150.26 42.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.47 99.09 0.19 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.476 -173.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -91.77 30.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.782 0.325 . . . . 0.0 110.882 176.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -92.99 -50.21 5.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -97.45 -7.13 32.32 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -55.0 100.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -178.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -131.83 -157.0 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.814 170.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.36 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.8 mmm -59.41 -30.88 68.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -93.06 -22.2 19.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.93 -21.45 63.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 173.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -55.14 -38.8 68.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.993 170.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-30 -64.43 -36.99 85.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 40.8 mtt -64.97 -22.22 66.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -53.67 -26.44 22.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 62.6 m -50.42 -50.02 53.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.181 176.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.56 -24.29 6.65 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.441 156.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -53.53 -70.65 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.903 0.382 . . . . 0.0 110.881 -173.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -154.61 158.69 28.44 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.501 -178.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -132.32 132.96 43.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.877 0.37 . . . . 0.0 110.941 -176.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.3 tp -101.99 121.64 42.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.509 ' HB2' HD23 ' A' ' 113' ' ' LEU . 85.5 m -104.09 116.18 31.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.843 -178.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 90.4 t -111.82 124.42 68.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -175.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -136.3 167.31 21.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -103.03 139.33 38.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.098 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.471 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.9 pt -76.28 8.44 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 177.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -107.63 -19.68 13.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 168.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -101.95 89.97 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 -171.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 98.9 m -57.6 -41.05 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.217 -175.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -57.35 -27.76 62.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.955 -171.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 68.0 m -59.46 -36.05 75.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 -177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -64.58 -39.98 94.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 -173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.81 -38.88 73.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.897 178.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -65.38 -35.52 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -176.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.77 -41.46 88.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.138 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -61.71 -41.08 97.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.861 177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.18 -44.32 97.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.012 176.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 -57.1 -41.67 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.983 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 76.4 ttt-85 -60.05 -47.85 84.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.865 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.8 -38.26 83.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -67.51 -40.04 85.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.3 mt -61.48 -38.41 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.172 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 61.4 mtpt -60.72 -41.43 95.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.22 -40.75 74.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.882 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -63.48 -34.39 67.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.124 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.454 ' HA ' ' HD2' ' A' ' 104' ' ' LYS . 28.2 mmmt -99.09 5.77 46.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -177.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 44.82 46.82 8.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 87.8 p -168.26 170.08 10.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -173.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -54.39 168.41 0.25 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 173.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 50.6 p30 -64.04 -177.89 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -173.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.461 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 28.6 m -136.06 164.34 43.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.719 0.771 . . . . 0.0 111.024 -161.515 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 83.0 Cg_exo -47.98 125.68 11.95 Favored 'Trans proline' 0 C--N 1.343 0.25 0 C-N-CA 122.669 2.246 . . . . 0.0 112.371 175.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.1 mtt -143.81 153.32 42.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.853 -173.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.1 t -131.86 135.1 59.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 166.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 80' ' ' CYS . 82.6 mt -99.96 125.03 45.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.26 125.34 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 -176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -107.46 119.68 5.9 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.555 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -99.77 169.52 9.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.877 -174.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 80.9 mttt 74.1 36.15 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 172.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 88.1 m -79.51 -21.79 44.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -124.34 -13.87 7.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.784 176.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.65 -56.51 19.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -157.42 151.74 24.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.015 -174.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -48.69 147.75 2.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.154 172.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.14 -179.27 5.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.963 0.411 . . . . 0.0 110.824 -168.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 40.8 p -138.68 26.56 2.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.204 -174.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.471 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 55.4 t -129.79 124.38 58.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.157 168.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.438 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.2 tt0 -71.47 136.57 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 178.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.4 m -58.13 -35.31 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.833 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.76 -37.51 84.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.412 HE21 ' HB2' ' A' ' 129' ' ' GLN . 18.6 mt-30 -69.56 -46.15 67.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 176.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.85 -43.15 99.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.041 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -71.64 -33.42 68.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -65.63 -38.99 90.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 176.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.8 -39.29 93.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.51 -41.89 96.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.168 175.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.89 -36.27 81.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.822 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.0 p -66.87 -25.38 66.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.834 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 22.1 m-30 -92.03 -8.81 44.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 69.58 25.83 75.11 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.528 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 79.0 mt -114.18 134.06 22.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.541 0.686 . . . . 0.0 111.197 -174.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -50.41 134.62 39.02 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.621 2.214 . . . . 0.0 112.404 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -111.68 119.44 38.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.9 -175.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.3 mt -125.16 124.71 67.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.127 -178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -97.5 138.91 34.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.826 173.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.5 t -151.59 170.75 18.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.136 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.8 t -140.69 109.66 6.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 172.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -63.27 -25.95 68.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.053 -168.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.9 -46.01 86.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -171.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.2 p -113.15 -17.1 12.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -171.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.4 mmt-85 -140.17 141.69 36.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -173.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -90.08 119.07 30.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 170.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -104.02 5.11 45.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 169.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.472 HG11 ' HB2' ' A' ' 23' ' ' LEU . 78.0 t -61.67 -52.74 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.751 0.31 . . . . 0.0 111.135 -173.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.45 -49.67 76.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.92 -172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -61.52 -41.26 97.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.799 -178.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.76 -48.84 78.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.049 -177.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -72.14 -39.63 68.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -175.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -65.59 -40.04 92.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.893 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 74.8 m -60.9 -43.82 98.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.217 172.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 52.3 tp -58.36 -42.74 87.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.77 -41.54 88.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.203 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.415 ' O ' ' HG2' ' A' ' 165' ' ' GLN . 99.3 mtt180 -64.62 -40.45 95.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -65.68 -37.5 86.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.879 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.437 HD11 ' HA3' ' A' ' 77' ' ' GLY . 91.4 mt -61.94 -44.2 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 174.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 75.2 mtt-85 -71.22 -24.57 62.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.832 -175.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 161' ' ' ARG . 78.9 mm-40 -96.11 -5.1 41.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 178.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 178.676 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.1 ttp . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.883 0.373 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.4 m -58.63 129.52 42.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -120.11 141.09 50.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -115.9 134.42 55.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.983 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.473 ' HB2' HG21 ' A' ' 74' ' ' THR . 71.5 mmtt -111.45 106.1 14.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 174.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 tp -103.29 130.15 50.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.919 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.8 t -104.38 118.61 51.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 172.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 93.0 t -104.09 127.17 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 -178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.9 m -128.49 160.55 38.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.052 -178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.6 177.0 43.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.483 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.41 155.82 21.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 0.0 111.101 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.17 131.24 33.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.499 177.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 131.38 -16.92 5.12 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' HG3' ' A' ' 16' ' ' LYS . 33.4 m -103.88 171.79 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.861 0.362 . . . . 0.0 111.11 173.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -95.27 59.31 1.64 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.442 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' HG3' HG23 ' A' ' 14' ' ' VAL . 56.0 mtmt -55.25 -47.95 74.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.79 0.329 . . . . 0.0 110.888 -179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -72.84 -38.55 67.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.25 -43.6 92.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.72 -40.02 94.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.901 -174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 82.3 p -68.88 -30.8 69.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 97.9 mt -70.02 -45.15 77.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.113 172.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 27' ' ' HIS . 76.8 mt-30 -61.38 -35.25 76.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 -171.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 tp -57.08 -38.84 73.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.984 176.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.703 HD11 ' HB3' ' A' ' 40' ' ' TYR . 44.7 mm -65.78 -36.16 76.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -170.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -118.49 2.44 11.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -170.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 52.01 52.74 13.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' O ' ' HG2' ' A' ' 22' ' ' GLN . 58.3 t-80 -155.19 153.0 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 -172.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -80.63 111.86 17.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.831 -178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.6 t -129.52 131.8 66.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.116 -170.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -103.67 -15.3 15.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.04 134.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -95.43 134.01 38.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.584 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 49.5 p30 -63.77 162.48 28.38 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.568 0.699 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.584 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 40.6 Cg_endo -62.43 167.15 11.78 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.384 175.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -67.72 -9.93 48.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 -175.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.3 pt -106.3 159.92 6.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.127 177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.3 pt-20 -58.89 150.37 24.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -152.64 99.27 2.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 89.9 p -79.89 152.81 29.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.703 ' HB3' HD11 ' A' ' 24' ' ' ILE . 97.5 m-85 -129.61 145.59 51.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.88 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -121.28 136.13 55.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.794 -177.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.8 tptt -146.01 131.21 18.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -77.23 123.48 26.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.13 159.74 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.203 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.6 t -111.28 121.15 63.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 75.4 mt -120.26 118.58 57.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 56.43 40.65 29.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 177.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.03 -5.9 81.2 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.522 175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -104.96 129.71 53.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.823 0.344 . . . . 0.0 110.907 -178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.7 m -85.53 128.58 34.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.037 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.1 p -149.88 169.43 21.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -173.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.6 tp -110.56 122.12 46.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 175.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 35.5 tp -99.25 116.61 31.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -175.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -109.88 112.38 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.7 mt -109.69 129.06 65.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.171 -173.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 tp -115.75 118.97 34.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 173.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -87.18 130.08 34.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 175.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 96.2 m -111.24 140.45 45.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 -172.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -142.72 147.97 36.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.22 93.83 0.27 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.564 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.41 ' HG3' ' CE1' ' A' ' 96' ' ' TYR . 99.6 mm-40 -88.97 -7.35 56.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.877 174.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.35 -38.15 89.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 170.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.415 ' O ' ' N ' ' A' ' 65' ' ' SER . 98.3 mt-10 -91.12 -5.3 55.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.47 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.6 t80 -35.3 96.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.944 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 63' ' ' GLU . 91.2 p -128.12 -172.45 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 69' ' ' ASP . . . -54.19 -22.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 173.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -59.7 -32.55 70.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.47 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 63.3 mtt85 -90.12 -37.99 13.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 176.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.433 ' HB2' ' HA ' ' A' ' 66' ' ' ALA . 96.7 m-20 -57.89 -35.19 70.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -175.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -59.19 -34.97 72.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -74.78 -38.38 62.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 175.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.2 mtp -62.59 -27.09 68.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -50.06 -29.6 9.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.934 -179.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.473 HG21 ' HB2' ' A' ' 5' ' ' LYS . 97.3 m -64.63 -46.46 82.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -178.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.85 0.05 88.95 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.449 161.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -45.07 -70.19 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.954 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -174.13 172.94 45.72 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.567 177.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -127.12 132.22 50.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.9 tp -107.22 121.31 44.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 173.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.446 ' HB2' HD23 ' A' ' 113' ' ' LEU . 99.1 m -107.87 122.25 46.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -176.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.511 HG22 ' CG1' ' A' ' 114' ' ' VAL . 58.8 t -109.85 128.52 65.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.097 -175.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.492 ' HB3' HD11 ' A' ' 93' ' ' ILE . 54.8 p90 -121.58 161.06 23.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.613 ' HB3' ' HB3' ' A' ' 86' ' ' ASN . . . -96.72 133.59 41.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 171.168 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.578 HG22 ' O ' ' A' ' 84' ' ' ILE . 96.8 mt -71.9 -5.75 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.439 ' HB2' ' HA ' ' A' ' 123' ' ' ARG . 22.2 t30 -102.11 -23.74 14.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 174.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.613 ' HB3' ' HB3' ' A' ' 83' ' ' ALA . 40.6 t30 -99.18 98.22 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -175.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.2 m -55.97 -38.61 70.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.158 179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.15 -27.83 66.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -173.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.9 m -54.06 -39.95 66.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -173.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -68.35 -39.11 81.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -63.87 -42.69 97.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.926 179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -67.86 -35.59 78.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.862 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 82' ' ' PHE . 76.7 mt -63.56 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -61.06 -41.5 96.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.834 176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -61.73 -43.5 98.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.961 175.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.41 ' CE1' ' HG3' ' A' ' 61' ' ' GLN . 15.2 m-30 -57.36 -43.81 83.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.933 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -61.43 -48.49 80.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.823 -176.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.39 -37.61 80.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 -178.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 28.9 tt0 -64.77 -47.02 79.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.77 -41.55 92.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.188 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.02 -40.6 98.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.42 -39.81 89.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.966 179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 -34.05 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 105' ' ' ASP . 73.5 mmtt -88.66 -2.61 58.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.968 -177.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 104' ' ' LYS . 70.0 m-20 40.15 47.85 2.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 174.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 97.2 p -164.65 174.97 10.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -173.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -51.69 162.23 0.43 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 177.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -56.12 167.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -174.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -123.97 161.86 44.53 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.602 0.715 . . . . 0.0 111.095 -167.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.37 118.32 4.91 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.634 2.223 . . . . 0.0 112.335 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 98.4 mtp -143.53 149.45 37.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -176.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 73.2 t -136.53 140.14 43.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.072 169.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.446 HD23 ' HB2' ' A' ' 80' ' ' CYS . 48.8 mt -102.04 123.42 45.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.511 ' CG1' HG22 ' A' ' 81' ' ' VAL . 7.4 p -125.62 132.77 70.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -112.56 129.66 9.12 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.56 -175.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -103.45 170.11 8.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.92 0.391 . . . . 0.0 110.876 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.445 ' HA ' ' HB3' ' A' ' 120' ' ' LEU . 87.7 mttt 72.74 35.01 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 20.0 t -79.68 -39.88 30.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.892 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -124.26 -16.92 6.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.445 ' HB3' ' HA ' ' A' ' 117' ' ' LYS . 65.9 tp -65.76 -40.42 92.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -149.13 149.5 31.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.032 -176.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -49.16 144.24 5.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 171.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' HA ' ' HB2' ' A' ' 85' ' ' ASN . 0.0 OUTLIER -137.39 160.04 40.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -171.313 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.432 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 43.6 p -131.97 32.03 4.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.162 -173.369 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.96 131.7 67.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.05 170.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.423 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.8 tt0 -75.13 135.71 41.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 176.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 58.6 m -57.4 -34.14 68.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.877 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.423 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -64.06 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.898 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -70.29 -46.44 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.76 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.048 -175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -69.84 -33.29 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.946 -178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -68.76 -36.23 78.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.91 -42.58 99.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.33 90.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 175.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.71 -38.86 84.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 92.7 p -67.93 -23.9 65.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -89.64 -9.26 50.27 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 177.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 70.46 24.95 76.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.437 ' CG2' ' HG ' ' A' ' 113' ' ' LEU . 60.4 mt -118.61 135.14 23.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 111.215 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.46 137.73 31.8 Favored 'Trans proline' 0 N--CA 1.465 -0.203 0 C-N-CA 122.688 2.259 . . . . 0.0 112.39 -178.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -113.4 117.08 30.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 -174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.77 128.88 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.175 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -98.78 133.28 43.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 174.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 63.2 p -136.6 168.44 19.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.6 t -141.75 111.96 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 170.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -57.02 -22.83 41.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 -172.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -53.44 -51.91 61.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -176.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 81.1 p -126.75 -14.94 5.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.127 -173.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -120.94 117.25 26.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 -168.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -77.01 110.39 11.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.873 174.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -94.1 -12.16 56.71 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.486 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.19 -54.41 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 111.15 -174.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -68.02 -50.54 54.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.943 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -58.11 -44.94 87.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -174.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.07 -44.19 89.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -67.89 -40.99 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -175.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.7 m-30 -60.77 -39.02 87.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -176.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 80.6 m -60.26 -44.17 95.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 63.2 tp -59.16 -41.75 89.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.954 177.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 57.6 t -61.58 -43.9 97.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.03 -37.38 87.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -65.64 -38.04 88.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 175.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.54 -42.59 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.245 173.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -65.56 -30.15 70.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.862 -177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -93.93 -5.44 47.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.944 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 178.498 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 79.2 mtm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.848 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.0 m -63.45 126.77 28.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -106.63 136.66 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.802 -174.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -117.83 110.36 17.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.979 173.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.9 100.04 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.911 -175.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.8 mt -105.85 139.54 40.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -169.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.7 t -109.75 125.57 66.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.072 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 ' HB ' ' HA ' ' A' ' 57' ' ' ASP . 79.6 t -103.45 126.57 57.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -176.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.7 m -128.47 160.41 38.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.13 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.69 167.96 23.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.527 178.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -81.67 167.85 18.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 111.099 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.21 136.76 24.17 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.51 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 134.12 -11.64 4.74 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.549 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.441 HG23 ' HG3' ' A' ' 16' ' ' LYS . 35.1 m -117.0 174.63 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.903 0.382 . . . . 0.0 111.03 176.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -102.76 59.47 0.54 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -172.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.441 ' HG3' HG23 ' A' ' 14' ' ' VAL . 50.8 mtmt -54.04 -49.69 68.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -177.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.1 m -64.91 -41.27 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.04 93.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.009 -176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 99.2 mt -70.6 -42.2 71.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.848 -171.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 72.0 p -63.85 -33.33 75.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.5 mt -69.42 -40.8 80.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 177.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.483 ' HG2' ' HA ' ' A' ' 28' ' ' PHE . 70.5 mt-30 -60.73 -46.57 89.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 -170.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.8 tp -66.39 -40.36 89.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -178.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.723 HG21 ' HB3' ' A' ' 40' ' ' TYR . 42.1 mm -72.52 -30.02 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.078 -175.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.38 -4.86 28.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.953 -177.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 54.09 41.25 32.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -160.14 149.85 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.815 -172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.483 ' HA ' ' HG2' ' A' ' 22' ' ' GLN . 57.6 t80 -81.48 105.12 12.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.7 125.94 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -99.66 -22.5 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 175.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -40.02 133.03 1.75 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.819 178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -85.89 130.06 34.66 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.908 -178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.525 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 44.8 p30 -68.22 171.65 5.47 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.581 0.705 . . . . 0.0 110.875 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.525 ' HD2' ' HB2' ' A' ' 33' ' ' ASP . 72.9 Cg_exo -55.09 161.8 6.24 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.652 2.234 . . . . 0.0 112.402 -178.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.8 p -64.61 -14.25 57.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.913 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.2 pt -112.02 167.67 5.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.13 175.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.7 pm0 -61.63 150.97 34.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.818 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -148.13 108.18 4.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.892 -171.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.3 p -79.62 147.29 32.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.932 -179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.723 ' HB3' HG21 ' A' ' 24' ' ' ILE . 97.2 m-85 -129.85 144.05 51.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -124.9 138.56 54.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HB2' HG23 ' A' ' 24' ' ' ILE . 52.4 tptt -146.82 133.54 19.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -74.49 123.21 24.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.819 174.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -136.18 164.72 30.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -174.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.3 t -113.51 115.39 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.115 171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 79.9 mt -116.14 117.81 56.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.191 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 56.91 37.92 29.09 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.83 -7.03 67.4 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -94.7 126.92 40.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.836 0.351 . . . . 0.0 110.926 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 96.2 m -86.18 124.71 32.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.112 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.5 p -152.79 170.26 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -170.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 tp -107.3 119.73 40.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 176.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 47.7 tp -96.36 115.82 28.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.918 -176.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -111.93 110.38 20.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.977 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.6 mm -109.71 125.01 66.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -174.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 56.3 tp -125.95 119.74 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.883 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.467 ' HA ' ' HB ' ' A' ' 8' ' ' VAL . 4.8 p-10 -95.38 143.26 26.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 176.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.8 p -120.41 162.74 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -150.88 149.05 29.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 75.06 95.0 0.14 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.482 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -61.84 -27.36 68.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 110.899 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -58.0 -39.92 79.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 170.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.01 -37.12 69.85 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.905 -177.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.537 ' HA ' ' HD2' ' A' ' 68' ' ' ARG . 89.9 t80 -42.54 95.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 171.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.0 p -135.08 -167.12 1.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.788 176.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -51.8 -29.0 17.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.077 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -60.13 -34.61 73.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.537 ' HD2' ' HA ' ' A' ' 64' ' ' TYR . 97.0 mtt180 -94.48 -20.51 19.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -58.15 -30.01 66.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.864 167.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' HB2' HE21 ' A' ' 70' ' ' GLN . 14.9 mt-30 -61.82 -40.39 95.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.995 170.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -66.21 -39.13 89.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 174.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.06 -25.38 66.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.86 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -52.11 -28.34 17.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.918 -178.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 72.7 p -56.17 -44.28 79.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.136 178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 90.79 -21.4 33.53 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 156.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -43.44 -79.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 -177.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -172.15 179.94 43.44 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.528 -175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -129.29 133.98 47.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.932 -173.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' HB2' HG22 ' A' ' 8' ' ' VAL . 24.6 mt -102.61 124.74 48.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.871 174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 97.4 m -108.09 116.12 31.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 66.1 t -109.97 125.55 67.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -174.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.6 p90 -135.81 169.84 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.44 143.49 38.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.13 172.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.426 ' O ' ' HB ' ' A' ' 125' ' ' VAL . 41.4 pt -75.06 4.85 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -179.219 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -109.99 -21.98 12.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 170.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -93.87 94.28 8.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -172.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 99.8 m -58.94 -43.54 91.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -55.07 -33.62 62.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -174.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 58.3 m -61.12 -35.91 78.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -65.01 -42.41 94.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.816 -177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.47 -41.09 63.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -41.35 96.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -174.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.6 mt -65.29 -38.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.046 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.4 t-160 -61.45 -41.57 97.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 177.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -61.08 -44.49 97.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.8 m-30 -59.41 -38.92 81.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 175.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -59.22 -46.65 87.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.898 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -66.55 -39.1 88.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -65.78 -42.97 90.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.977 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.36 -41.54 92.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.143 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.42 -43.11 99.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -69.67 -39.94 76.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.878 -178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.58 -33.07 60.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.124 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -86.7 1.89 50.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 40.5 47.07 2.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 89.8 p -164.61 169.37 17.09 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -174.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -51.24 163.28 0.25 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 174.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -56.74 170.19 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 -175.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 34.8 m -128.18 161.73 54.52 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.611 0.719 . . . . 0.0 111.094 -162.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 85.9 Cg_exo -48.59 121.62 6.7 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.737 2.292 . . . . 0.0 112.368 176.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 47.3 ttm -156.45 148.39 23.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.84 -171.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -132.25 136.91 55.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.403 ' HG ' HG21 ' A' ' 139' ' ' ILE . 33.8 mt -104.59 124.74 49.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 10.6 p -128.39 135.52 62.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.164 -177.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.04 125.68 6.86 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.484 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -98.68 168.36 10.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -175.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 73.63 34.02 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.0 m -80.87 -20.22 42.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -123.85 -11.95 7.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 176.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 67.1 tp -57.53 -54.89 41.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -165.61 157.04 14.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 -170.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -50.02 150.02 2.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 173.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' H ' ' HD3' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -130.74 -178.53 4.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -170.423 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 48.4 p -131.1 18.9 4.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.212 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.426 ' HB ' ' O ' ' A' ' 84' ' ' ILE . 61.3 t -128.73 123.82 60.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.119 166.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.455 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 85.1 tt0 -70.91 139.5 50.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.817 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 52.0 m -58.74 -35.12 72.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.455 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -61.17 -37.91 84.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -70.27 -44.61 68.07 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.924 176.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.86 -43.93 97.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 -176.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -71.56 -32.77 68.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -63.49 -41.74 98.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.855 175.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.51 -43.4 97.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 177.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.04 -46.56 77.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.096 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 49.3 ptt85 -71.71 -27.79 63.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -173.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.3 p -68.61 -23.77 64.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 175.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 14.7 m-30 -89.6 -4.48 57.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.7 20.4 79.65 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.54 -176.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.403 HG21 ' HG ' ' A' ' 113' ' ' LEU . 95.8 mt -110.91 132.17 21.77 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.571 0.701 . . . . 0.0 111.23 -174.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -51.87 136.11 51.15 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.693 2.262 . . . . 0.0 112.441 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -109.83 117.75 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.008 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 89.7 mt -125.45 126.44 70.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.104 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -93.87 139.44 30.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 11.9 t -146.15 160.39 42.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 10.8 t -136.64 109.97 7.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 172.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.22 -23.96 39.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.07 -171.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -76.12 -50.61 14.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 58.7 p -114.21 -37.19 4.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 -162.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 91.3 mmt-85 -139.81 119.94 13.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -169.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -90.53 123.24 34.03 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -170.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.38 5.49 29.95 Favored Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.501 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 75.0 t -62.34 -50.73 78.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.895 0.379 . . . . 0.0 111.178 -173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.34 -49.25 77.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.05 -41.62 96.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.65 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.095 -177.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.481 ' HD1' ' N ' ' A' ' 156' ' ' PHE . 2.8 m-30 -65.67 -42.04 91.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.8 m-30 -68.94 -37.15 78.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 64.0 m -56.68 -43.96 80.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 176.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 44.8 tp -60.58 -41.82 95.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.981 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.27 -40.9 85.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.232 177.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.88 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.95 -37.78 88.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.5 mt -65.35 -45.67 92.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.079 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 -67.65 -25.07 65.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -176.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -98.89 -4.54 32.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.395 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mtp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.913 0.387 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.5 m -62.96 130.15 43.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -126.29 135.86 52.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -116.31 127.99 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 177.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -105.05 114.37 28.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.889 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 tp -112.47 131.17 55.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.942 -175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 85.0 t -106.43 126.59 62.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.132 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 75.2 t -103.91 129.85 55.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.136 -176.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -131.06 160.79 41.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 177.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.11 164.8 15.0 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.479 178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -73.03 154.22 40.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.86 0.362 . . . . 0.0 111.126 -178.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.0 44.79 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.402 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 128.9 -4.09 6.45 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.419 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.3 m -110.15 166.48 5.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.13 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -116.04 54.92 0.56 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.456 -176.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HD2' HD12 ' A' ' 19' ' ' LEU . 26.5 mmmt -64.5 -33.25 75.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.79 0.328 . . . . 0.0 110.865 -175.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 75.4 m -62.47 -41.74 98.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.934 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.12 87.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.127 178.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 HD12 ' HD2' ' A' ' 16' ' ' LYS . 87.8 mt -69.0 -39.46 79.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -174.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 56.6 p -63.8 -33.76 76.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 172.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.37 -37.55 79.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 175.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -57.0 -48.75 77.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.851 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.03 -40.11 90.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.894 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 84.1 mt -66.97 -36.43 77.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.091 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -105.24 0.39 27.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 -173.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 55.17 45.05 26.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 40.0 m170 -130.97 153.81 48.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.779 -174.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -99.96 110.35 22.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.87 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 68.7 t -115.95 105.42 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -176.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -99.19 87.3 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.793 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -166.62 170.51 12.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 176.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -94.33 122.41 36.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.923 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -129.69 89.33 46.88 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.572 0.701 . . . . 0.0 110.836 -175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -79.36 140.17 15.15 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.727 2.285 . . . . 0.0 112.411 176.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.6 p -149.26 -179.69 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.806 173.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 82.6 mt -141.42 116.36 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.197 -177.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 57.34 69.41 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.6 t0 -132.63 111.25 11.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -170.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.1 p -90.66 150.89 21.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -174.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -133.57 149.61 51.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 175.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -128.75 136.99 51.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.881 174.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -149.31 129.71 13.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -75.92 122.9 24.83 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.033 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 23.2 m -136.26 159.98 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.137 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.63 121.84 67.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.216 173.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.3 mp -120.4 124.98 73.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.061 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.3 t0 52.6 43.07 31.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.98 -8.72 68.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.671 -0.775 . . . . 0.0 112.519 171.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -102.32 126.01 49.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.07 0.462 . . . . 0.0 110.843 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.4 m -87.07 129.19 35.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.166 178.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -153.42 170.76 19.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.937 -172.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.2 tp -106.46 127.16 53.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 175.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 66.3 tp -95.96 113.32 24.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.855 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -107.6 113.09 26.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 84.4 mt -107.79 125.38 64.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.192 -172.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.7 mt -98.41 113.94 26.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 174.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -100.98 119.14 38.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -79.12 170.78 16.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -175.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.452 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.6 139.52 20.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.103 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -59.96 -15.69 36.69 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.457 171.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -81.23 117.35 21.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.727 0.299 . . . . 0.0 110.83 173.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 15.3 pm0 -68.19 -17.37 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.813 -174.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' TYR . 75.2 mm-40 -83.09 -0.33 48.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.829 -178.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' GLU . 20.6 p90 -33.82 133.89 0.18 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 176.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 80.6 p -94.94 -166.42 1.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.853 -169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.08 -20.93 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.098 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.4 mmm -58.7 -32.24 68.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.19 -20.02 23.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.859 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -63.33 -20.49 65.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.893 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -46.93 -37.43 8.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 173.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -64.86 -32.15 73.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.958 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.6 mtt -65.2 -20.59 66.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.871 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -52.9 -26.43 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 39.9 m -51.81 -50.78 60.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.127 174.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.32 -19.84 9.86 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.506 157.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -67.82 -64.52 0.84 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.904 0.383 . . . . 0.0 110.87 -170.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.541 ' HA3' HD21 ' A' ' 159' ' ' LEU . . . -150.09 153.97 25.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.458 -178.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -133.54 128.28 34.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.842 0.353 . . . . 0.0 110.828 -174.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 tt -103.68 122.93 46.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 70.7 m -108.96 116.0 31.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.5 p -111.59 138.45 40.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.159 -177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -131.63 168.35 17.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 175.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -108.16 141.47 39.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 171.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.9 pt -68.49 -9.84 12.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 -173.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 p-10 -97.56 0.91 48.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.812 173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -112.54 91.64 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 92.1 m -64.95 -46.44 81.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 170.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.02 -34.68 70.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.918 -175.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.5 p -58.32 -24.15 58.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -172.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -65.42 -37.69 87.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -65.59 -37.57 87.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -65.68 -40.11 92.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.905 177.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.84 -42.72 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 176.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -59.91 -43.21 94.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -60.03 -47.83 84.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 178.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -58.35 -41.23 84.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 63.4 ttt-85 -54.78 -49.91 69.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -70.45 -40.42 73.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.816 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -66.18 -42.88 88.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 73.2 mt -55.17 -40.47 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -64.33 -40.96 96.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 -177.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.38 -39.19 78.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.7 t -62.87 -39.36 84.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.062 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.418 ' HD2' ' HA ' ' A' ' 104' ' ' LYS . 3.2 mmmp? -90.17 -0.99 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 45.7 45.13 11.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -172.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.3 m -140.68 155.11 46.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.934 -171.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.6 p30 -66.97 -171.38 0.14 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 170.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -50.93 153.2 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -171.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.94 160.2 66.31 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.182 -171.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -51.74 119.99 6.41 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.653 2.235 . . . . 0.0 112.336 176.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.425 ' HB2' HG21 ' A' ' 139' ' ' ILE . 74.6 mtm -148.26 150.02 32.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -174.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.4 t -132.66 136.6 55.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.12 172.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.3 tp -96.99 123.71 40.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 177.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 91.0 t -121.11 127.4 75.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 -176.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -106.86 117.62 5.38 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.433 176.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -95.93 168.57 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 -176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 85.3 mttt 65.18 39.19 5.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.859 173.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 96.3 m -72.73 -7.36 50.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.16 1.62 54.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 176.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -77.74 128.44 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 175.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.69 -48.27 19.42 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 -176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.13 83.85 4.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.107 -177.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -112.69 157.35 21.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.933 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 74.8 p -125.25 17.51 8.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -124.77 117.25 49.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.124 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.422 ' HG2' ' H ' ' A' ' 128' ' ' ARG . 87.7 tt0 -75.62 133.34 40.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 167.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 91.8 p -62.84 -29.27 70.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -176.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.422 ' H ' ' HG2' ' A' ' 126' ' ' GLU . 99.6 mtt180 -65.66 -38.64 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.952 176.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -66.49 -44.92 81.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.967 177.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.26 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 176.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.97 -43.41 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 177.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -66.92 -39.69 87.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.853 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 82.7 mt -63.16 -41.35 99.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 175.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.48 91.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 173.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.5 -40.04 94.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.5 p -68.63 -23.68 64.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.843 177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.8 m-30 -89.98 -5.98 56.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.933 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.02 23.38 74.7 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 111' ' ' MET . 46.2 pt -125.65 156.54 70.71 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-O 121.634 0.73 . . . . 0.0 110.997 -174.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -75.59 154.07 39.48 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.725 2.283 . . . . 0.0 112.275 176.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -119.74 127.71 53.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 175.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.9 mt -125.22 130.02 73.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.066 -175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -82.11 137.73 34.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.996 172.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.6 t -144.36 160.91 40.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -134.96 124.16 24.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 169.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.11 -23.81 15.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.115 178.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.23 -67.96 0.32 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.3 p -142.93 -41.25 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -62.06 104.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.819 -172.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -84.87 109.61 18.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -176.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.98 -1.48 33.99 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.452 159.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 77.9 t -68.13 -46.27 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.8 0.333 . . . . 0.0 111.077 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -62.81 -45.26 93.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.74 -39.68 89.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 176.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.58 -41.11 98.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.08 177.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -62.11 -49.05 77.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -67.16 -43.01 83.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 -173.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.405 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 64.7 m -61.17 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.541 HD21 ' HA3' ' A' ' 77' ' ' GLY . 1.3 tt -61.82 -41.44 97.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.856 177.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.0 t -63.33 -39.33 84.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 176.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.405 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 84.4 mtm180 -61.99 -37.82 86.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.919 176.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -65.25 -38.64 90.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.02 -43.57 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.198 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -65.96 -33.97 77.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.874 -176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -94.95 5.36 52.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.95 -173.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 77.6 m80 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.768 178.662 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.899 0.381 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 86.9 m -65.39 130.04 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -115.51 136.31 53.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 179.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -115.95 119.79 37.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 178.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -103.45 107.17 17.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.903 -172.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mp -110.25 139.92 44.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.012 -175.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.65 125.77 67.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.105 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.6 t -106.02 124.46 61.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -176.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.6 m -127.06 160.64 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.108 -176.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 161.2 158.49 9.39 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.89 166.06 22.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 111.064 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -66.36 133.58 33.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.25 -12.07 5.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.49 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.3 175.09 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.902 0.382 . . . . 0.0 111.063 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.28 58.68 0.39 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 -171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -53.41 -40.54 65.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 -179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.5 m -70.22 -43.06 71.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.943 177.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.1 -41.16 97.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.09 -173.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.1 mt -66.15 -43.28 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 -175.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 97.6 m -61.55 -40.14 93.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.78 -39.59 86.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.142 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.39 -46.61 83.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.909 -178.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.81 -39.77 94.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 93.0 mt -65.85 -36.38 77.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -174.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -106.01 -0.31 25.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -171.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.12 44.97 27.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.869 -172.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.9 m170 -123.94 152.31 42.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.828 -174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.0 m-30 -101.43 109.78 21.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 175.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.4 t -119.9 105.18 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -173.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -103.96 88.21 2.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -172.8 177.32 2.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -99.35 124.6 44.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.908 -174.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -129.97 91.05 40.79 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.632 0.729 . . . . 0.0 110.831 -175.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.67 137.89 11.65 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.682 2.255 . . . . 0.0 112.385 177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.6 p -153.84 -170.34 3.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 172.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 13.8 tt -158.5 130.29 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.191 -175.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 53.79 64.52 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 177.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -133.07 119.84 20.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -171.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 93.9 p -99.67 150.35 22.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.27 149.63 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.947 171.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -129.47 137.33 50.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.906 173.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -148.91 129.89 14.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.92 178.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.33 123.3 25.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.9 m -136.53 164.78 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 89.5 t -114.65 113.7 44.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 170.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.31 125.99 72.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.5 t0 63.1 32.4 15.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.37 -10.42 54.8 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.475 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -97.37 131.7 43.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.926 0.393 . . . . 0.0 110.887 -177.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.3 m -86.22 126.78 34.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.5 p -154.35 171.12 19.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.816 -167.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 59.8 tp -106.63 122.11 45.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 175.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 60.9 tp -95.9 116.74 29.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -178.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -109.86 113.29 25.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 -178.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.0 mm -107.25 126.86 63.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -173.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -106.54 111.87 24.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.78 123.21 39.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.836 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 75.8 p -82.67 169.01 16.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 -178.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.93 139.39 22.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.08 -177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.25 -13.3 48.79 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 168.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -86.59 121.0 28.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.763 0.316 . . . . 0.0 110.928 172.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.8 pm0 -68.29 -17.04 64.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.2 mt-10 -80.12 -7.67 59.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -175.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.444 ' C ' ' O ' ' A' ' 63' ' ' GLU . 11.0 p90 -34.23 132.92 0.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.6 t -99.95 -162.34 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.841 -169.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.5 -24.73 57.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.018 -177.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -57.81 -31.86 67.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.929 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -90.01 -20.06 23.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 -178.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.67 -18.56 64.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.788 179.07 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -46.51 -37.96 8.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.919 173.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -63.46 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.963 -179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.5 mtt -63.14 -24.51 67.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.9 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -55.88 -27.92 54.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 175.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 53.0 m -49.96 -45.2 51.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.149 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.87 -47.1 3.65 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.584 158.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -49.29 -69.28 0.12 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 110.941 -165.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.538 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -147.82 155.42 26.46 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -131.68 128.98 40.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.855 -175.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.5 tp -103.13 121.55 42.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 176.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.406 ' HB2' HD23 ' A' ' 113' ' ' LEU . 91.8 m -105.89 114.22 28.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 -178.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.2 t -111.94 127.9 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.166 -176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -138.89 169.89 16.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.813 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.33 140.47 35.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.1 tp -57.64 -20.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 -179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.476 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.3 p-10 -93.42 5.54 51.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -111.88 93.74 4.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.817 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.5 m -64.17 -48.54 75.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 170.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -53.97 -31.92 52.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.934 -176.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -54.42 -25.72 26.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -176.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.1 m-30 -62.26 -44.41 96.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.925 178.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -72.3 -36.25 68.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.891 178.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -64.21 -41.11 97.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.75 -39.53 85.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.126 178.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -63.07 -43.45 98.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.405 ' HB2' HE21 ' A' ' 95' ' ' GLN . 18.9 mt-30 -61.48 -44.62 96.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.922 176.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.5 m-30 -59.54 -39.23 83.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.905 175.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -59.83 -44.98 93.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 178.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.25 -35.99 76.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.908 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -66.27 -41.45 89.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.901 177.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 86.0 mt -60.89 -40.0 83.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 174.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 106' ' ' SER . 87.4 tttt -57.6 -48.43 79.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.929 179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -72.96 -41.65 64.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -174.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -66.69 -37.28 79.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -176.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -90.05 -1.08 57.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.85 -177.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 45.48 44.81 10.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -173.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 75.2 m -143.22 146.72 33.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.835 -173.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.74 -171.99 0.16 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.885 173.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -40.67 145.77 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -174.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.9 m -127.5 159.1 67.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.7 0.762 . . . . 0.0 111.091 -169.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -49.7 119.07 4.28 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.724 2.283 . . . . 0.0 112.324 173.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 58.7 ttm -155.85 150.04 25.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.933 -169.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 86.2 t -133.34 139.39 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.163 173.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.406 HD23 ' HB2' ' A' ' 80' ' ' CYS . 43.4 mt -99.79 126.64 45.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.918 175.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 97.4 t -120.84 128.99 76.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.218 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.22 117.39 5.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.391 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.436 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -97.0 167.98 10.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.96 0.409 . . . . 0.0 110.806 -178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.9 mttt 67.83 35.64 3.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.929 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.7 m -72.86 -6.7 46.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.877 -178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -96.48 2.75 52.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.806 175.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.8 tp -82.68 132.13 35.19 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.906 175.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.57 -47.44 22.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.081 -176.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.2 80.88 5.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.082 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.3 ptt85 -112.82 155.93 23.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.904 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 70.7 p -122.7 16.72 10.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 98.7 t -125.33 120.57 58.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.099 173.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -75.25 129.9 38.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 162.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 90.9 p -62.02 -26.02 68.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -176.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.04 -37.74 88.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.838 176.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -68.06 -43.47 78.55 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.929 177.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.88 -38.12 89.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 177.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -44.75 90.73 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.944 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -66.04 -35.69 81.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.6 tp -60.93 -43.14 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.93 171.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.39 -38.45 91.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 174.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -63.03 -40.51 97.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.7 p -67.98 -24.79 65.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 18.0 m-30 -89.37 -6.88 56.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 178.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.94 70.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.462 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.4 pt -131.44 161.41 62.23 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.064 -171.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.462 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 76.9 Cg_endo -77.25 153.7 31.77 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.667 2.244 . . . . 0.0 112.283 -178.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -120.13 130.0 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 174.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 92.0 mt -121.33 124.41 71.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.097 -175.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -85.77 134.92 33.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 169.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -141.34 161.69 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -178.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.65 119.43 19.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.92 169.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.436 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -51.85 -25.19 7.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.047 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.411 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -55.81 -64.0 0.99 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -174.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.411 HG23 ' HG2' ' A' ' 147' ' ' LYS . 67.8 p -140.76 -38.78 0.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.175 176.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.6 ttt85 -65.37 101.62 0.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.897 -173.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -79.71 109.18 13.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 -176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -103.96 -8.79 38.61 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.402 166.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 12.9 p -69.48 -36.84 73.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 111.144 -177.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -69.23 -49.94 51.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.959 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -60.16 -37.18 79.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.3 -45.55 92.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.12 177.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -64.23 -48.69 74.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -65.67 -47.49 75.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.4 m -61.68 -45.91 91.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.108 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.33 -43.12 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.8 t -63.06 -39.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.96 -37.77 86.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -67.02 -36.72 82.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.936 176.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.538 HD11 ' HA3' ' A' ' 77' ' ' GLY . 90.2 mt -64.06 -39.81 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.163 171.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 65.7 mtp85 -64.11 -31.17 72.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -100.21 8.18 43.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -176.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.7 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.774 -179.687 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.854 0.359 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.5 m -64.87 127.66 32.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -120.13 135.75 54.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 177.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -115.37 136.44 53.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.898 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -108.12 108.5 19.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.835 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 tt -110.22 127.64 55.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 73.6 t -109.78 125.74 66.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.041 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.2 t -104.98 125.06 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.164 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.06 160.18 36.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.74 161.02 11.68 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.428 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.74 165.55 24.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 -178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.01 135.1 32.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.873 -0.679 . . . . 0.0 112.449 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.56 -4.94 5.18 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.0 174.59 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.944 0.402 . . . . 0.0 111.08 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.19 55.29 0.52 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.524 -179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -56.68 -33.91 66.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.757 0.313 . . . . 0.0 110.9 -174.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.3 m -76.51 -38.45 55.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 176.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 33' ' ' ASP . . . -61.61 -37.94 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.116 176.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.6 -41.72 75.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.445 ' O ' HG12 ' A' ' 24' ' ' ILE . 98.0 m -61.33 -45.8 92.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.146 176.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 80.2 mt -60.44 -38.43 77.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 -175.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -56.91 -48.73 77.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -76.13 -30.69 58.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -173.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 20' ' ' THR . 41.0 mm -73.19 -36.64 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -107.95 3.11 23.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -173.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 56.01 46.63 21.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.9 m170 -123.68 164.55 18.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.814 -176.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 4.3 m-30 -111.69 112.52 24.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.81 173.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 90.9 t -119.54 106.51 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -174.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -104.86 83.01 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -174.92 176.78 2.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -94.84 122.96 38.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.963 -177.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' HB2' ' A' ' 18' ' ' ALA . 67.2 t0 -138.24 89.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.683 0.754 . . . . 0.0 110.823 -175.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -79.86 143.24 16.31 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 0.0 112.368 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.4 t -144.17 -173.18 3.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 174.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 16.6 tt -160.01 130.48 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.251 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 53.23 61.3 3.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.827 179.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -132.06 118.4 19.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -165.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 79.7 p -111.09 142.63 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -170.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -133.18 149.93 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -127.48 141.1 51.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.57 130.46 12.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 175.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -73.45 123.02 23.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.6 m -137.05 164.47 30.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 -174.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.4 t -112.27 114.64 47.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.125 172.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.8 mt -122.43 123.96 69.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.093 -177.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t0 62.49 33.43 16.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.29 -10.68 58.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.547 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -98.71 132.21 44.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.981 0.42 . . . . 0.0 110.844 -177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.19 127.1 34.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.4 p -151.78 169.93 21.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -171.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.7 tp -105.36 121.06 43.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 174.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.8 tp -98.65 114.86 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -177.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -104.58 112.45 25.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.7 mt -107.75 125.19 64.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.19 -172.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.3 mt -103.08 124.1 47.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -94.87 128.65 41.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 173.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 67.2 p -90.26 170.75 10.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.09 176.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -50.91 134.23 25.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -178.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.17 -5.77 49.95 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.534 170.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -100.41 126.38 46.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.684 0.278 . . . . 0.0 110.983 168.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.99 -16.3 63.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.7 mt-10 -72.12 -9.99 59.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -177.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.548 ' HB3' ' HB3' ' A' ' 59' ' ' ALA . 27.9 p90 -33.48 132.58 0.19 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 177.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 p -95.1 -168.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.829 -171.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.38 -19.51 47.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.1 178.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -58.98 -31.75 69.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 176.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.95 -20.03 23.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -62.84 -18.66 63.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.796 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -44.75 -38.41 4.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 173.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.4 m-30 -65.91 -30.0 70.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.2 mmt -59.22 -28.74 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -53.35 -27.68 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 55.0 m -50.68 -49.95 56.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.04 -37.22 3.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.531 160.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -52.96 -66.02 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.914 0.388 . . . . 0.0 110.895 -167.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.493 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.79 156.11 26.52 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 -178.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.411 ' O ' ' HA ' ' A' ' 111' ' ' MET . 90.4 m-85 -136.27 127.19 27.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.869 0.366 . . . . 0.0 110.836 -174.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.6 tt -107.59 127.63 53.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.929 -176.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 93.6 m -103.21 118.28 36.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -174.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.0 t -109.63 127.8 66.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -132.4 165.57 23.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.833 177.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.87 139.34 36.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.3 tp -57.32 -20.14 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -176.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -93.74 4.11 54.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 -178.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -108.83 96.04 6.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.0 m -64.32 -48.88 73.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.168 168.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -56.23 -32.75 64.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.929 -173.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 65.0 p -54.9 -27.72 45.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -173.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -65.19 -42.56 93.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.924 -179.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.34 -37.03 77.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.862 176.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.94 -43.18 96.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.1 mt -63.06 -40.5 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -61.32 -47.22 86.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -63.78 -48.28 77.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.914 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -66.79 -31.73 72.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.0 ttp85 -59.87 -44.98 93.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.835 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -66.75 -34.54 78.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 178.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -64.77 -43.77 92.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.968 177.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.7 mt -57.83 -40.61 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.057 176.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -64.47 -42.21 96.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -69.26 -40.05 78.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.835 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.5 t -63.93 -37.51 79.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.07 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -90.58 0.02 57.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -177.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 47.23 45.11 16.33 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 -175.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.3 m -141.39 155.24 45.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -66.54 -172.74 0.18 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -48.56 151.54 1.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.843 -172.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.51 158.79 63.32 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.612 0.72 . . . . 0.0 111.18 -168.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.42 121.72 8.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.233 . . . . 0.0 112.317 175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.411 ' HA ' ' O ' ' A' ' 78' ' ' PHE . 54.3 ttm -153.22 146.96 25.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 -171.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 96.3 t -130.41 136.13 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.171 172.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 46.9 tp -98.98 122.92 42.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.892 -179.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 89.6 t -124.59 129.8 73.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.42 122.7 5.89 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -100.07 166.92 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.958 0.409 . . . . 0.0 110.856 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.8 mttt 68.7 34.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.917 174.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.36 -4.64 37.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.941 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -93.42 -3.31 53.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 175.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.1 tp -74.95 131.26 40.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.82 177.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -76.47 -49.09 17.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.034 -178.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -79.73 81.55 5.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.115 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 48.3 ptt85 -115.04 156.96 24.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.941 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 79.7 p -122.99 20.73 9.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.166 177.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.6 t -127.14 117.63 47.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.084 173.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -74.65 131.44 40.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 164.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 93.7 p -62.52 -28.86 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 -175.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.36 -38.06 88.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.846 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -67.41 -43.8 80.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.922 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.96 -40.28 97.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.215 176.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -64.89 -46.02 83.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -66.78 -35.23 79.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -178.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.83 -43.58 98.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 172.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.61 -36.91 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.092 174.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -63.51 -40.02 95.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.841 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 84.5 p -68.0 -24.42 65.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 178.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.2 m-30 -91.06 -6.77 53.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.852 178.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.72 24.88 71.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.559 178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.401 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 49.7 pt -124.68 157.61 65.16 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.683 0.754 . . . . 0.0 111.108 -174.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.3 Cg_endo -75.64 149.41 34.11 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.721 2.281 . . . . 0.0 112.276 177.113 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -120.26 130.0 54.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 98.6 mt -125.37 127.17 71.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 -176.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -87.74 132.36 34.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 172.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 14.8 t -142.08 164.02 31.29 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.154 -175.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.4 t -133.0 119.4 20.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 172.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -53.38 -23.78 10.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.076 -177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.97 -65.32 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 38.0 p -140.8 -39.28 0.42 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.112 177.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 37.7 ttt85 -63.4 104.19 0.59 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 -174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -88.03 108.4 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 -178.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.24 -6.92 29.16 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.426 163.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 73.7 t -72.18 -39.28 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.796 0.331 . . . . 0.0 111.083 -175.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.1 -48.77 78.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.93 -35.76 81.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.791 175.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.05 -40.85 97.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.119 176.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -62.12 -47.46 84.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 9.0 m-30 -65.37 -43.01 92.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -176.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 72.7 m -62.53 -44.02 97.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.082 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.64 -44.11 93.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 45.5 t -62.98 -40.25 88.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 177.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.17 -38.57 90.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -68.19 -37.09 80.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 177.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.493 HD11 ' HA3' ' A' ' 77' ' ' GLY . 84.1 mt -63.6 -44.36 98.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.121 174.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -66.76 -28.74 68.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -99.93 18.24 18.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -176.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.809 179.462 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.7 mtp . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.84 0.352 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 70.2 m -61.97 127.01 29.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.115 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -120.96 135.53 55.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -115.65 123.23 47.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 177.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.91 106.49 17.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.883 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.1 mp -105.16 135.42 46.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -173.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.4 t -103.24 118.99 51.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 176.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.8 t -108.14 126.0 64.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -173.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -134.21 164.49 34.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -175.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 163.92 160.22 11.59 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.468 176.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.406 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -75.45 160.45 30.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 -178.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.1 133.25 36.63 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.97 -5.18 5.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.436 178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 m -114.94 170.64 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 177.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -115.3 55.02 0.55 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.566 178.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -62.41 -28.61 69.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 0.0 110.869 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.9 m -74.94 -39.47 61.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 173.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.01 -36.84 85.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.075 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.3 -41.19 96.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.969 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 95.7 m -62.37 -40.04 95.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 175.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.97 -41.76 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -60.04 -43.85 95.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.1 tp -65.03 -40.07 94.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.956 178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.447 HG12 ' HB2' ' A' ' 42' ' ' LYS . 89.5 mt -69.42 -34.23 61.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.124 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -97.57 -4.91 36.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.937 -175.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 55.0 44.89 27.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 -176.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -128.45 153.07 47.5 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -173.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -98.79 107.5 19.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 172.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 65.5 t -125.17 118.25 52.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -173.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -107.3 93.59 4.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 178.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.57 -179.99 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.926 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -106.88 129.71 54.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -139.96 87.51 12.53 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.631 0.729 . . . . 0.0 110.846 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -77.59 144.09 22.1 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.2 t -146.77 -170.99 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.853 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.9 tt -158.45 129.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 52.32 60.93 3.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -135.34 106.44 6.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -164.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 95.8 p -94.56 150.95 19.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.834 -172.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 -131.8 152.33 51.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.953 174.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -124.98 137.63 54.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.856 173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.447 ' HB2' HG12 ' A' ' 24' ' ' ILE . 55.6 tptt -148.4 125.68 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 176.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.3 tt0 -85.64 124.8 32.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.961 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.7 m -136.74 169.05 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 -174.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.8 t -113.04 118.99 59.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.146 168.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.23 119.87 62.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 55.79 39.52 30.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.919 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.46 -5.54 72.97 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.507 176.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -101.63 126.22 48.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.024 0.44 . . . . 0.0 110.874 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.0 m -83.69 125.07 31.5 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.196 178.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.6 p -149.89 169.27 21.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.912 -170.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -112.25 124.42 52.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 76.2 mt -89.68 118.05 29.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -104.24 106.58 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 172.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.2 mm -102.58 119.64 51.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.143 -171.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.5 mt -106.61 112.85 26.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.928 -175.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -99.55 128.07 45.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.8 p -86.29 174.96 8.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 176.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.443 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -50.23 135.2 21.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.051 178.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.05 -11.6 32.68 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.518 169.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -84.37 123.11 29.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.734 0.302 . . . . 0.0 110.939 174.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 14.7 pm0 -65.22 -18.77 65.58 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -176.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -83.83 -3.05 57.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -175.102 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.459 ' C ' ' O ' ' A' ' 63' ' ' GLU . 24.3 p90 -33.35 132.53 0.18 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.975 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.7 p -95.06 -167.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.779 -169.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.94 -19.53 43.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.146 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.0 mmm -58.21 -31.69 67.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 177.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -89.93 -20.04 23.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -63.73 -19.27 64.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -46.61 -37.94 8.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 173.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -62.12 -29.54 70.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.99 -178.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.428 ' SD ' HG12 ' A' ' 100' ' ' ILE . 22.0 mmt -60.85 -22.24 64.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -176.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -53.48 -29.96 38.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 54.0 m -53.47 -52.22 60.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.176 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.51 -7.92 36.93 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.507 155.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -64.23 1.01 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.902 0.382 . . . . 0.0 110.858 -174.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.31 156.27 26.65 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.403 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -129.96 126.38 37.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -170.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.8 tp -103.64 126.41 50.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.959 178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 84.4 m -108.38 114.92 29.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.7 t -111.52 128.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.083 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -139.92 169.85 16.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -101.75 137.97 39.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.103 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 9.4 tp -61.85 -18.17 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 -176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.491 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 15.4 p-10 -89.79 2.97 54.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -108.91 101.45 10.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -64.42 -48.07 76.76 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.071 168.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -55.65 -32.86 63.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.921 -174.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 60.4 p -57.48 -25.33 59.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -172.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -62.25 -44.07 97.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.58 -36.46 73.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.902 177.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.26 -41.45 99.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.17 -40.02 87.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.074 178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -61.07 -45.08 96.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.831 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 95' ' ' GLN . 16.6 mt-30 -62.71 -42.33 99.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 177.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.7 m-30 -60.02 -40.24 88.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 176.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.05 -46.72 87.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.829 177.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -67.94 -39.44 83.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 -177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -66.95 -45.65 77.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.428 HG12 ' SD ' ' A' ' 72' ' ' MET . 88.6 mt -58.96 -40.92 81.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 174.277 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 79.7 tttt -61.22 -44.59 97.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.927 -178.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.55 -41.82 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.7 t -65.04 -35.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.062 -177.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.568 ' HE3' ' HA ' ' A' ' 104' ' ' LYS . 0.3 OUTLIER -84.93 -1.54 56.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -178.144 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.4 44.58 6.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -173.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 m -137.32 157.03 47.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -174.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.7 p30 -65.43 -173.59 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.891 167.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -51.96 152.17 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 m -124.88 156.24 69.12 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.583 0.706 . . . . 0.0 111.152 -166.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -61.7 125.74 17.4 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.66 2.24 . . . . 0.0 112.313 176.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 ttp -153.5 148.8 27.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -167.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 90.8 t -132.16 137.27 54.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.105 175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 59.8 mt -100.43 127.24 46.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.3 t -122.56 129.99 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.84 121.96 5.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.44 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -99.24 166.05 11.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.968 0.413 . . . . 0.0 110.872 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.409 ' HA ' ' HD2' ' A' ' 117' ' ' LYS . 28.8 mmmt 69.7 35.97 2.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.866 174.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 95.9 m -73.95 -7.95 54.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -95.28 -2.87 48.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 175.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.3 tp -76.07 134.61 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.904 177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -75.6 -47.14 27.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 -177.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -82.31 81.49 8.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.141 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -115.56 155.3 27.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.916 176.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.404 ' H ' ' HA ' ' A' ' 85' ' ' ASN . 67.1 p -121.96 22.2 10.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.3 t -129.99 120.45 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -74.47 144.68 44.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 167.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 73.8 m -61.78 -31.52 71.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 177.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.73 -41.3 90.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 177.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -67.93 -45.37 74.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.105 -177.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.36 -43.1 82.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.858 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -64.5 -38.75 92.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 59.0 tp -63.51 -43.41 97.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.776 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.43 91.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.08 175.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.88 -36.44 83.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.9 p -65.7 -23.95 66.88 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.409 ' HB2' HG12 ' A' ' 139' ' ' ILE . 33.7 m-85 -96.25 -4.1 42.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.07 26.01 72.03 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.554 177.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.436 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 45.5 pt -130.39 159.94 68.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.636 0.731 . . . . 0.0 111.086 -173.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.436 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.4 Cg_endo -76.95 153.64 32.88 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.743 2.295 . . . . 0.0 112.277 -177.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -120.89 130.71 54.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.5 mt -120.3 123.37 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.154 -176.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -89.53 134.52 34.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.895 173.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -143.02 162.88 34.3 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -177.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 45.4 t -133.52 115.95 15.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 170.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.66 -22.87 14.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.069 -174.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.0 tttt -56.84 -62.64 1.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.943 -175.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.405 HG23 ' HG2' ' A' ' 147' ' ' LYS . 44.2 p -137.95 -41.08 0.53 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.129 177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 43.7 ttt85 -65.17 101.65 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -176.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -83.98 109.96 18.05 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -105.34 -4.31 40.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 169.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 7.5 p -66.91 -35.68 75.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 0.0 111.08 -175.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -67.76 -48.7 65.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.987 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -62.3 -35.99 80.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.904 176.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.02 -44.6 96.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.1 m-30 -63.48 -48.45 77.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 6.0 m-30 -65.09 -44.09 89.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -176.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 88.0 m -62.99 -45.54 91.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.35 -40.21 93.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.886 177.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 37.7 t -59.86 -40.25 82.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 172.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.64 -36.97 85.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.829 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -69.52 -40.11 77.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 175.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 89.9 mt -59.41 -35.88 61.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.188 175.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -63.74 -30.06 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -100.0 -14.68 18.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 -172.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 58.4 m80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 178.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.823 0.345 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 88.8 m -63.66 130.66 45.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.094 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -119.72 134.78 55.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -115.68 128.15 55.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.899 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -108.86 112.29 24.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.887 -172.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.2 tp -110.69 135.8 50.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.003 -176.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.4 t -107.3 123.88 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.145 171.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 95.7 t -105.97 127.19 61.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 -177.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 34.5 m -126.82 159.95 35.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.157 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.96 156.63 8.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.476 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.47 163.95 26.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.769 0.319 . . . . 0.0 111.16 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.82 134.86 37.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 132.84 -2.92 4.89 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.435 179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -124.47 169.52 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.84 0.352 . . . . 0.0 111.154 175.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.96 60.51 0.41 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.476 -172.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -52.23 -40.58 61.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.76 0.314 . . . . 0.0 110.858 -174.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.9 m -70.32 -39.28 74.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.9 -37.1 86.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.066 -175.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 HD22 HG21 ' A' ' 152' ' ' VAL . 96.4 mt -68.7 -41.6 78.92 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.945 -174.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.2 p -62.54 -32.03 72.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 177.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 87.8 mt -65.06 -34.22 69.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.225 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -55.71 -48.77 74.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 62.5 tp -66.46 -39.53 88.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -178.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.434 HD11 ' HB3' ' A' ' 40' ' ' TYR . 92.7 mt -65.76 -39.68 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 -170.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -109.06 7.37 25.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 -171.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 54.86 44.69 27.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 -177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -127.43 158.52 37.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -171.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -100.23 113.54 26.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.852 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 67.3 t -115.92 104.73 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -106.04 86.56 2.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -177.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -174.41 177.6 2.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.845 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.4 m-30 -107.92 132.29 53.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.924 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -134.67 91.07 21.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.538 0.685 . . . . 0.0 110.857 -176.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -76.84 137.6 17.92 Favored 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.666 2.244 . . . . 0.0 112.389 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 84.4 p -154.82 -176.52 5.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 177.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 72.8 mt -142.87 120.29 6.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.209 -176.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 55.13 71.25 0.55 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -128.75 119.62 24.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.845 -171.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 86.6 p -104.5 146.85 28.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -173.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.434 ' HB3' HD11 ' A' ' 24' ' ' ILE . 98.1 m-85 -132.3 148.75 52.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -130.1 139.24 50.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.859 173.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -152.85 130.68 11.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 174.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.62 124.08 26.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.004 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.2 m -137.6 164.21 29.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.099 -174.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -110.22 114.37 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 170.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.6 mt -120.08 122.01 67.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.078 -178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.0 t0 63.07 34.23 13.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.94 -10.32 57.93 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.475 178.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -96.4 131.05 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.0 110.808 -178.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.7 m -85.36 125.35 32.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.229 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -153.85 170.86 19.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.853 -168.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 56.3 tp -105.47 123.24 47.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 174.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 61.1 tp -96.84 113.1 24.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -107.9 112.57 25.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.6 mt -109.65 125.02 66.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 -171.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 83.1 mt -102.79 113.53 27.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -94.07 122.22 36.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 -178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 80.8 p -81.38 165.46 21.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -52.84 140.64 23.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.139 -178.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -63.32 -15.12 56.38 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.498 170.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -86.5 117.98 25.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.694 0.283 . . . . 0.0 110.936 173.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.6 pm0 -70.05 -13.07 62.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.0 -1.1 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 178.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.43 ' C ' ' O ' ' A' ' 63' ' ' GLU . 29.7 p90 -32.31 133.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.0 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 76.9 p -94.53 -169.96 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 -176.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.67 -19.69 41.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.047 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -56.94 -30.01 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.89 177.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -88.73 -20.07 25.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.848 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -63.73 -16.01 60.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.3 pt20 -44.76 -38.6 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 172.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -62.31 -25.85 68.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 100' ' ' ILE . 81.5 mmm -53.23 -27.72 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.926 -178.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -52.0 -30.39 24.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.823 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 31.8 m -57.52 -59.14 5.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 174.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.78 -4.92 33.98 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 158.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -74.49 -60.95 2.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.876 0.37 . . . . 0.0 110.832 -175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.408 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -158.56 162.55 32.52 Favored Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.12 126.55 31.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -173.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 58.4 tp -102.47 123.93 47.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 95.7 m -104.6 114.25 28.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.797 -176.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.3 t -112.46 127.88 69.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 -176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -143.52 172.18 13.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.848 -179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.558 ' HB1' ' OD1' ' A' ' 85' ' ' ASN . . . -102.42 139.55 37.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 -179.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.8 tt -65.12 -14.98 17.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.103 -177.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.558 ' OD1' ' HB1' ' A' ' 83' ' ' ALA . 14.5 p-10 -89.75 5.4 46.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 177.169 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -112.08 101.12 9.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.1 m -65.87 -47.01 76.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.107 168.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.41 -27.24 65.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -172.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 53.8 p -57.37 -25.13 58.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.2 m-30 -62.37 -42.93 99.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.909 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.35 -36.99 84.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 177.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.78 -35.43 81.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.848 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.81 -43.84 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.121 177.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -66.34 -40.55 89.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.85 -44.43 94.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 174.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -57.12 -39.73 75.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 174.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -60.24 -48.69 80.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.798 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.26 -39.24 71.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -175.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -64.92 -43.9 91.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.413 ' HA ' ' HE1' ' A' ' 72' ' ' MET . 86.1 mt -62.8 -39.94 86.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.182 173.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.07 -51.0 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -73.37 -44.71 58.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -170.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.4 t -65.59 -35.17 74.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.086 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 43.8 tptt -83.2 -3.54 57.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 45.11 48.52 9.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -172.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 84.8 p -150.29 155.26 39.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 -177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -65.57 -177.03 0.39 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 175.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -52.16 157.19 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -173.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.438 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 33.8 m -129.34 163.27 47.43 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.659 0.742 . . . . 0.0 111.135 -166.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.438 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 78.3 Cg_exo -50.73 120.82 7.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.664 2.243 . . . . 0.0 112.278 173.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 75.4 mtm -146.01 151.35 37.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.917 -173.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 84.7 t -134.21 139.74 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.82 125.01 44.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 177.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 88.8 t -120.6 128.14 76.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.124 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -111.07 119.28 5.15 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.415 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.7 t-20 -96.97 167.75 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.995 0.426 . . . . 0.0 110.86 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt 68.4 36.44 3.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.909 174.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 94.6 m -74.65 -8.84 57.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.94 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -95.42 -1.18 51.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 175.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.9 tp -74.98 133.48 41.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.839 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.87 -44.38 49.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.035 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.23 82.39 8.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 51.7 ptt85 -116.11 154.47 29.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 176.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 73.6 p -122.09 21.71 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.1 t -126.02 119.06 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.097 173.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -73.8 136.65 43.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.854 167.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 69.6 m -55.75 -36.31 67.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.57 -39.59 88.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.878 -179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.69 -47.25 69.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -177.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.63 94.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 -176.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -66.69 -44.99 80.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -66.26 -34.88 79.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 60.8 tp -59.88 -44.84 93.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 172.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.41 -37.89 85.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.123 174.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -64.45 -37.76 88.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.909 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 80.9 p -65.67 -24.41 67.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -96.82 -1.9 45.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 73.79 25.76 71.07 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.509 177.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.415 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 39.0 pt -128.46 159.72 66.21 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.626 0.727 . . . . 0.0 111.079 -174.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.415 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 72.1 Cg_endo -77.92 152.27 28.3 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.3 -177.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -120.1 130.12 54.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.941 173.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 94.0 mt -120.11 124.21 72.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -89.2 130.81 35.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 171.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.2 t -139.65 162.35 35.31 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.12 -175.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.0 t -134.92 121.39 20.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.857 172.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.415 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -52.68 -24.56 8.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.147 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -57.87 -64.78 0.79 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.937 -174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 75.1 p -141.17 -40.12 0.4 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -64.89 102.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 -172.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -84.8 109.92 18.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.874 -176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -110.04 -6.38 28.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.465 164.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . 0.4 HG21 HD22 ' A' ' 19' ' ' LEU . 78.8 t -69.08 -44.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.139 -175.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -62.24 -44.21 97.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -60.77 -38.15 84.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.77 -40.42 96.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -62.06 -50.82 70.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 176.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 7.4 m-30 -69.11 -45.88 69.09 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 -172.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 79.3 m -60.24 -45.75 92.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.162 -176.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 25.7 tp -65.21 -40.9 94.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 42.1 t -61.36 -39.88 84.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.151 174.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -62.52 -39.94 95.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 176.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -67.16 -41.42 86.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.408 HD11 ' HA3' ' A' ' 77' ' ' GLY . 85.9 mt -59.94 -39.9 81.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.189 178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -62.11 -26.33 68.24 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -90.28 8.03 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.955 -174.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.823 175.313 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.831 0.348 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.3 m -67.27 128.41 36.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -118.61 135.88 54.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -114.95 132.64 56.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -105.46 111.13 23.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.851 -174.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -114.16 126.7 55.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.948 -171.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 86.4 t -108.09 127.24 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.1 t -110.87 128.66 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.01 160.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 -177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 167.7 162.95 20.72 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.434 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.88 160.83 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.348 . . . . 0.0 111.102 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.56 139.78 39.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.458 -179.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.3 -8.93 8.39 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.399 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.2 m -113.64 168.24 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.875 0.369 . . . . 0.0 111.08 176.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -113.28 54.89 0.54 Allowed Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.47 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.9 pttm -61.99 -33.1 73.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.786 0.327 . . . . 0.0 110.862 -176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 24.0 m -74.84 -33.74 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 174.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.43 -37.06 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 173.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.48 -40.33 85.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 61.2 m -58.56 -44.74 89.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.172 175.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 92.3 mt -67.74 -42.46 86.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -174.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.14 -48.07 76.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 -175.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -67.95 -44.82 75.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -173.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.449 HG13 ' HG2' ' A' ' 25' ' ' GLN . 36.3 pt -76.85 -20.95 14.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 -172.013 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.449 ' HG2' HG13 ' A' ' 24' ' ' ILE . 99.7 mm-40 -103.53 -2.66 26.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 56.18 42.75 27.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 -176.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.5 168.0 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.836 -175.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -124.27 106.45 10.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.86 175.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.7 t -123.48 116.29 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -172.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -107.3 90.62 3.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 177.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -169.6 177.41 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 177.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 48.6 t80 -95.55 121.37 37.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.932 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -133.64 88.16 34.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.648 0.737 . . . . 0.0 110.802 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.94 143.35 16.24 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.423 178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.0 t -147.43 -174.05 4.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.809 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 14.4 tt -159.81 130.16 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.156 -176.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 52.38 59.46 4.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.899 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -130.19 116.71 18.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -165.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -106.72 141.73 37.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.815 -172.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.2 m-85 -128.02 150.46 49.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 171.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -125.82 138.13 53.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -151.35 130.02 12.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -74.97 123.62 25.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 36.0 m -135.05 160.62 40.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.127 -173.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -113.41 114.49 47.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 171.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.4 mt -122.37 122.74 67.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.124 -176.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.444 ' HB3' HH22 ' A' ' 164' ' ' ARG . 23.5 t0 62.9 32.74 15.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.69 -7.15 59.38 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.509 -179.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -96.02 128.79 43.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.973 0.416 . . . . 0.0 110.892 -178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.1 m -87.66 127.4 35.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.099 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.5 p -153.98 170.44 21.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.86 -173.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -104.96 121.4 43.66 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 174.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.1 tp -97.82 113.26 25.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -106.0 111.63 24.34 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.965 179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.2 mt -108.48 122.06 62.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -170.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.2 tp -104.56 118.47 36.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -99.58 130.93 45.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.84 176.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -88.37 -178.83 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.38 133.81 49.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.076 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.32 -19.16 63.94 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 166.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -83.0 115.68 21.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 0.0 110.942 170.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.5 pm0 -70.03 -18.64 63.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.837 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.6 mt-10 -77.27 -4.85 47.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 -176.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.441 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.4 p90 -33.05 135.42 0.1 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 175.618 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -94.44 -168.56 1.87 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -171.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -58.81 -21.61 56.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.08 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.6 mmm -58.79 -30.07 67.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.898 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' O ' ' CD2' ' A' ' 71' ' ' TYR . 2.6 mpp_? -88.49 -20.19 25.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.832 -177.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -59.31 -13.51 8.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.2 pt20 -45.8 -35.66 4.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 176.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 2.0 p90 -62.02 -16.11 49.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.942 -175.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 18.9 tmm? -54.65 -35.79 63.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -52.26 -31.44 32.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -171.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 45.0 m -57.56 -58.08 9.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.145 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.55 -5.11 31.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 157.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -76.5 -63.27 1.38 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.908 0.385 . . . . 0.0 110.806 -175.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.539 ' HA3' HD11 ' A' ' 159' ' ' LEU . . . -156.5 160.39 30.19 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.441 -179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -134.72 137.28 43.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.856 0.36 . . . . 0.0 110.809 -174.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.8 mt -101.52 131.51 47.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.953 171.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 92.8 m -106.25 111.96 24.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.884 176.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.7 t -109.7 126.17 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.199 -176.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.7 p90 -134.71 168.71 18.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.824 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.54 141.59 41.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.065 175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 46.6 pt -68.42 -10.28 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -94.0 4.22 54.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.825 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -112.4 94.98 5.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 178.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.2 m -65.45 -47.01 77.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.096 169.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -55.79 -33.83 64.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.915 -175.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.6 p -55.43 -26.62 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 -172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.5 m-30 -66.54 -43.68 84.5 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.87 -37.09 81.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.947 176.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -62.04 -46.22 90.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.954 178.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -60.94 -40.86 86.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -64.34 -49.85 70.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -65.61 -49.68 67.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.944 -177.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -63.59 -31.3 72.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 67.6 ttp85 -60.71 -45.92 92.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.767 175.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.62 -35.82 77.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.874 -178.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -65.66 -44.22 87.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.018 177.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.35 -38.61 75.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.099 174.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.462 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 52.6 mtpt -63.32 -38.69 92.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -69.28 -39.84 78.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.804 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.1 t -66.35 -38.29 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 33.3 pttt -87.71 -6.6 58.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -177.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 44.8 48.06 9.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.804 -176.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.445 ' HB2' ' HG3' ' A' ' 104' ' ' LYS . 40.1 m -145.08 154.48 42.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -72.6 -172.86 1.04 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 173.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -56.11 156.08 5.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -170.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.463 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 26.9 m -134.98 164.4 44.31 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.587 0.708 . . . . 0.0 111.121 -172.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.463 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 87.7 Cg_exo -48.54 122.66 8.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.698 2.265 . . . . 0.0 112.305 175.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.456 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.0 mtm -151.38 156.67 41.18 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -176.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 63.3 t -134.54 138.46 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 168.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 49.4 tp -98.71 124.04 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.8 t -123.15 129.91 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.116 -173.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.71 123.05 5.97 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.47 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -100.06 168.08 10.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.917 0.389 . . . . 0.0 110.853 -177.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 82.6 mttt 71.56 34.94 1.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 174.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.8 -8.1 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -176.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -93.47 -2.27 54.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.83 175.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 62.3 tp -76.82 129.89 36.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.65 -44.45 23.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -80.57 85.45 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.134 -179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 54.7 ptt85 -115.08 154.4 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -177.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 66.5 p -125.95 18.4 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 173.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.9 t -123.86 119.89 58.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 171.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -77.4 130.75 37.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.934 165.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.7 p -62.2 -27.55 69.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 -176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.62 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -67.33 -43.25 82.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 176.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.25 -39.45 94.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.13 176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -64.41 -43.39 94.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.841 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.5 -39.41 91.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 178.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 67.6 tp -61.39 -45.41 94.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 175.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.7 91.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.071 175.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -64.2 -39.8 94.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.829 -178.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.4 p -66.6 -25.0 66.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.82 -4.58 56.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.34 64.92 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.468 176.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.456 HG21 ' HB2' ' A' ' 111' ' ' MET . 49.1 pt -128.13 157.43 74.19 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 111.102 -174.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -76.44 154.8 36.11 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.731 2.287 . . . . 0.0 112.303 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -119.13 130.1 55.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.976 177.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 93.5 mt -121.75 125.77 73.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.086 -177.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -88.63 132.24 34.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 170.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.3 t -141.59 162.75 34.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -176.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 44.3 t -133.35 118.32 18.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 170.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -54.87 -21.92 12.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.066 -176.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -56.86 -64.66 0.8 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -175.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 33.9 p -140.95 -39.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.159 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 41.0 ttt85 -62.72 102.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.85 -176.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 88.0 mm-40 -83.84 109.2 17.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 -178.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -107.86 -7.69 31.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 166.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.9 p -68.71 -32.3 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 111.112 -178.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -64.88 -48.25 74.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.78 -38.0 80.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.41 -41.08 98.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.197 175.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -62.6 -51.71 66.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.944 177.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.405 ' N ' ' CD1' ' A' ' 157' ' ' TYR . 5.0 m-30 -66.25 -45.95 78.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.775 -172.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 84.9 m -59.74 -47.35 86.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.045 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . 0.539 HD11 ' HA3' ' A' ' 77' ' ' GLY . 48.0 tp -63.34 -43.19 98.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.927 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.94 -39.67 82.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.068 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -62.9 -37.95 88.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 176.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.84 -38.61 70.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.88 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.25 -38.62 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.145 175.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.444 HH22 ' HB3' ' A' ' 47' ' ' ASP . 32.9 ttm180 -63.76 -28.34 69.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 178.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -100.12 -3.9 30.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 -171.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.776 179.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.1 mtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 90.7 m -63.43 130.15 43.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -120.91 135.15 55.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 177.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -116.8 131.49 56.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -104.2 111.04 23.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.812 -175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.1 tt -111.15 128.93 56.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -175.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.79 126.19 68.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 96.7 t -102.08 124.79 56.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.7 m -133.53 163.3 37.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.122 -174.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 155.59 164.51 13.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.405 175.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.21 150.23 43.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 111.072 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.35 145.3 45.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.823 -0.704 . . . . 0.0 112.5 -175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 124.12 7.61 6.43 Favored Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.457 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.2 m -119.71 175.23 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 111.114 175.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.83 58.47 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.511 -171.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -51.08 -44.45 61.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.836 0.35 . . . . 0.0 110.925 -175.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.7 m -71.72 -38.71 70.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -176.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.97 -39.75 95.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.139 -177.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.7 mt -64.56 -44.79 89.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -175.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 71.7 p -63.67 -35.98 82.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.76 -41.05 89.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.184 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -59.13 -49.14 78.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -177.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.12 -40.43 94.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.405 HG12 ' HB2' ' A' ' 42' ' ' LYS . 88.3 mt -70.56 -34.34 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.19 -176.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -101.03 -0.08 37.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -174.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 55.13 46.17 24.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.77 149.59 50.18 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -99.43 110.31 22.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.812 173.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.8 t -126.69 117.28 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.094 -174.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.441 ' HB2' ' HA ' ' A' ' 147' ' ' LYS . 64.7 t0 -100.68 85.47 2.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.81 172.375 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -157.47 159.17 37.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -98.36 126.06 43.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -130.2 94.94 29.14 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.706 0.765 . . . . 0.0 110.815 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -81.39 139.14 11.38 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.636 2.224 . . . . 0.0 112.369 177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 p -159.6 -169.96 2.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.794 169.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.8 tt -160.04 131.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.194 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 56.51 62.82 2.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 -176.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -126.49 118.28 24.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 -164.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -110.01 139.29 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 -168.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -129.98 148.61 51.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -129.76 137.98 50.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.926 170.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.405 ' HB2' HG12 ' A' ' 24' ' ' ILE . 52.1 tptt -149.23 128.79 13.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 177.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -75.71 122.85 24.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.0 m -137.31 164.22 29.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -173.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.2 t -113.47 113.32 43.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 80.0 mt -118.31 121.94 68.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.087 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.7 t0 61.19 35.49 18.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.888 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.13 -11.01 56.85 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.444 178.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -95.3 130.87 41.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.985 0.421 . . . . 0.0 110.849 -178.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 93.1 m -85.61 125.15 32.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 176.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.0 p -152.8 170.07 21.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.926 -169.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.0 tp -107.19 123.44 48.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.94 174.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 63.4 tp -95.86 113.86 25.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.923 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -105.72 113.17 26.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.4 mt -106.64 125.73 62.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 -171.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.2 mt -101.94 112.77 25.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.896 175.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -97.39 123.46 41.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.834 -178.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.4 p -84.72 172.83 11.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.14 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 64' ' ' TYR . . . -52.72 139.07 27.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.046 -176.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.85 1.6 7.73 Favored Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.481 167.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -112.26 140.78 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.876 165.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.9 pm0 -70.01 -16.87 63.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.879 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.4 mt-10 -61.34 -21.36 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -173.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.45 ' C ' ' O ' ' A' ' 63' ' ' GLU . 25.0 p90 -34.26 131.99 0.29 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.843 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.445 ' H ' HH21 ' A' ' 68' ' ' ARG . 90.1 p -98.47 -169.54 1.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -170.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.32 -20.67 60.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.3 mmm -59.97 -29.05 68.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 176.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.445 HH21 ' H ' ' A' ' 65' ' ' SER . 1.4 mpp_? -89.9 -20.45 23.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.871 178.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -66.35 -16.46 64.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.91 178.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -43.97 -36.68 2.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 169.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -59.9 -25.75 65.35 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -178.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 87.0 mtp -59.92 -22.19 62.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.954 -178.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -50.98 -27.21 7.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.881 175.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 19.3 m -49.56 -52.36 30.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.74 -36.23 3.28 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.526 162.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -59.13 -67.14 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.901 -169.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -158.98 169.21 35.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -171.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -137.34 134.95 36.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.365 . . . . 0.0 110.874 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.5 tp -98.72 120.26 38.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 175.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 82.6 m -104.82 113.06 26.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.9 t -112.32 130.56 65.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 -177.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -132.0 169.95 15.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 176.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -112.35 140.57 46.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.128 172.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 47.1 pt -70.77 -5.81 6.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 -170.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 p-10 -96.48 3.46 52.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -115.33 94.54 4.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -178.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 m -64.22 -48.85 74.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -56.28 -35.25 67.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 56.7 p -58.47 -24.61 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.831 -174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -67.29 -43.52 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 178.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -71.25 -36.24 71.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.954 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -63.78 -47.16 82.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.923 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.77 -36.89 78.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -61.36 -45.31 94.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.817 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -62.6 -46.51 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 179.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -63.03 -34.69 78.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 97' ' ' ARG . 7.0 tmm_? -59.83 -46.81 88.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 176.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -66.14 -34.62 78.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 -179.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -65.39 -46.01 81.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.4 mt -59.86 -41.43 85.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.172 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.417 ' HE3' ' HA ' ' A' ' 107' ' ' ASP . 85.0 tttt -61.62 -46.21 90.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.982 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.95 -41.54 77.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -177.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.4 t -62.79 -32.98 57.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -88.87 -1.71 58.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.917 -177.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 44.79 46.21 8.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 61.8 m -139.28 156.96 46.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -173.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.417 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 51.9 p30 -58.75 175.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 165.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -46.92 154.19 0.36 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -175.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.3 m -122.45 159.93 50.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.657 0.741 . . . . 0.0 111.122 -162.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.07 118.13 4.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.642 2.228 . . . . 0.0 112.29 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.41 ' HB2' HG21 ' A' ' 139' ' ' ILE . 77.2 mtm -148.57 154.84 40.31 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -175.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 94.0 t -129.93 133.64 64.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 164.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.2 tp -100.87 124.08 46.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 94.3 t -123.28 133.7 68.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 -176.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.34 119.61 4.89 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.397 173.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -96.26 165.15 12.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.953 0.406 . . . . 0.0 110.885 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt 66.3 41.0 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 175.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 92.5 m -73.93 -3.54 29.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -95.64 3.17 54.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 173.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 58.7 tp -79.78 129.94 34.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.925 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -78.5 -48.91 14.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 -176.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -77.79 81.27 4.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.111 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 50.4 ptt85 -110.07 158.88 17.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 67.4 p -124.88 16.09 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.096 172.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 84.1 t -127.57 120.06 53.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -76.99 123.21 26.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 164.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 70.7 p -64.95 -21.94 66.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.45 -35.58 81.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -67.76 -41.82 82.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.911 177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.65 91.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.107 176.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -63.05 -42.82 99.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 176.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.46 -39.9 95.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.94 -44.12 96.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.69 -39.44 93.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.112 177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.7 ttt180 -63.16 -39.41 94.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.5 p -66.1 -24.43 66.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 12.8 m-30 -91.71 -4.67 54.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.902 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.11 24.64 73.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.41 HG21 ' HB2' ' A' ' 111' ' ' MET . 47.7 pt -123.69 158.13 60.43 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 0.0 111.083 -175.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 74.0 Cg_endo -77.33 150.52 28.82 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.722 2.281 . . . . 0.0 112.293 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -120.8 130.99 54.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 175.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 74.0 mt -121.88 124.93 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.101 -176.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -85.92 128.23 34.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 169.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.65 ' CG2' ' HA3' ' A' ' 151' ' ' GLY . 37.1 p -133.28 164.29 27.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.093 -173.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.442 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.9 t -138.61 115.13 10.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 163.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.6 -23.32 6.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.112 -175.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.441 ' HA ' ' HB2' ' A' ' 30' ' ' ASP . 88.2 tttt -59.42 -62.28 2.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -172.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 31.2 p -140.5 -30.76 0.65 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.128 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.442 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 42.0 ttt85 -79.24 91.6 5.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 96.7 mm-40 -81.62 115.61 20.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.833 -168.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.65 ' HA3' ' CG2' ' A' ' 144' ' ' THR . . . -102.66 3.86 49.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 166.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.29 -53.39 46.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.0 111.106 -174.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -64.98 -46.86 79.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -176.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.0 -42.5 98.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -44.46 96.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.5 m-30 -63.48 -47.11 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -65.46 -46.22 80.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 78.2 m -61.78 -45.54 93.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -176.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 41.9 tp -59.03 -44.71 91.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.944 176.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 43.0 t -63.18 -40.44 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 87.2 mtm180 -64.09 -38.22 90.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.856 179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -69.44 -39.93 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 176.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.17 -40.31 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.126 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -64.23 -23.57 67.36 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -178.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.3 mm-40 -91.49 13.05 18.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.949 -176.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 73.9 m80 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 174.214 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.4 mtp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.89 0.376 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -67.7 126.81 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.173 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -119.04 136.12 54.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.793 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 91.3 m-85 -116.06 129.9 56.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' HB2' HG23 ' A' ' 74' ' ' THR . 99.6 mttt -105.09 112.1 25.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.854 -177.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.0 tt -113.25 123.61 50.58 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.998 -172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.72 124.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.122 -177.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 58.1 t -108.26 129.52 62.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.158 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.48 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.17 158.51 9.61 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.494 176.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.49 160.42 30.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.945 0.403 . . . . 0.0 111.047 -173.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.64 139.95 39.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.544 -177.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 121.58 -17.67 8.84 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.437 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.9 m -100.51 168.44 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.89 0.376 . . . . 0.0 111.143 173.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -107.64 58.29 0.41 Allowed Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.508 -171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -51.96 -50.76 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 110.868 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 m -65.68 -41.28 92.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.14 96.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -176.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -66.89 -43.46 83.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 93.5 m -62.79 -43.55 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.209 178.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 76.3 mt -57.58 -37.11 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 -178.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -57.47 -44.4 84.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 59.5 tp -66.68 -40.75 88.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 47.7 mm -65.19 -37.24 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 -172.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -112.21 8.09 19.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 -172.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 51.86 45.87 27.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -127.52 156.68 41.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -174.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 -101.29 113.62 26.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.5 t -115.75 100.92 11.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.156 -174.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -98.82 81.25 2.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -174.45 176.14 2.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 69.5 t80 -99.5 124.41 44.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -175.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -131.55 90.78 36.21 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 0.0 110.817 -175.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -79.26 141.21 16.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.661 2.241 . . . . 0.0 112.338 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 85.0 p -154.46 179.69 8.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.832 174.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 59' ' ' ALA . 84.6 mt -142.56 121.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.199 -174.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 57.21 63.92 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.772 -179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -130.18 99.41 5.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -161.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 90.5 p -96.68 152.15 18.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.816 -171.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -134.91 141.51 46.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 172.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 ' HD3' HD21 ' A' ' 52' ' ' LEU . 38.8 ttm180 -128.34 135.81 50.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.806 -176.442 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -155.7 136.13 13.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 -177.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -75.17 124.52 27.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 172.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.8 m -136.57 161.34 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 -173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 91.9 t -112.6 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 173.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 88.0 mt -121.65 123.99 70.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 -176.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.1 t0 63.16 33.58 14.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 -10.38 41.95 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.54 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -94.62 129.52 41.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.97 0.414 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 92.6 m -85.89 126.69 34.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.177 176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.6 p -151.95 168.94 23.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -172.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD21 ' HD3' ' A' ' 41' ' ' ARG . 64.7 tp -107.26 119.09 38.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 176.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 62.6 tp -102.1 113.93 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -172.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -108.47 114.03 27.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.94 177.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -106.96 123.1 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 -172.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.4 mt -103.56 112.88 25.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.919 178.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -98.79 122.24 41.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.836 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 82.3 p -76.25 166.43 23.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.085 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' HA ' ' HA ' ' A' ' 36' ' ' ILE . . . -51.7 139.71 20.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.047 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -60.97 -15.27 42.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.488 173.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -82.23 119.26 23.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.73 0.3 . . . . 0.0 110.885 173.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 16.3 pm0 -65.29 -20.63 66.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -175.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.455 ' O ' ' C ' ' A' ' 64' ' ' TYR . 74.5 mm-40 -82.24 -2.02 51.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.772 -177.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.455 ' C ' ' O ' ' A' ' 63' ' ' GLU . 35.4 p90 -33.17 133.47 0.14 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 77.8 p -95.02 -168.45 1.81 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.872 -168.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.12 -22.78 42.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.992 179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.7 mmm -58.79 -31.63 68.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.95 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? -90.89 -22.5 20.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -61.66 -19.71 62.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.2 pt20 -45.74 -36.93 5.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.911 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -62.19 -29.06 70.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.939 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 93.7 mtp -57.69 -26.94 62.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -178.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -50.52 -27.23 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 177.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.415 HG23 ' HB2' ' A' ' 5' ' ' LYS . 27.3 m -54.91 -55.54 29.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.17 172.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.57 -2.39 31.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.537 159.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' H ' HG22 ' A' ' 74' ' ' THR . 96.4 mt-10 -76.36 -61.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.915 0.388 . . . . 0.0 110.913 -176.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -156.06 158.19 28.42 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.397 177.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -130.05 131.07 45.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 0.0 110.876 -175.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.9 tp -100.07 122.76 43.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.3 m -102.85 111.1 23.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 95.2 t -110.84 128.0 67.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -131.14 166.58 20.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 178.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -100.1 138.11 37.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.162 175.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.91 -20.42 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.095 -176.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.44 ' HB3' HD23 ' A' ' 120' ' ' LEU . 16.6 p-10 -93.03 2.9 56.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 -178.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -109.52 97.76 7.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 91.2 m -64.94 -49.47 70.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 169.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.63 -32.77 65.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 -173.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.4 p -54.79 -26.39 34.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -173.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 10.0 m-30 -64.99 -41.87 95.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 178.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.06 -37.82 78.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.877 176.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -63.29 -41.68 99.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.2 mt -64.48 -40.48 89.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.072 178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -61.48 -42.1 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -59.9 -45.78 91.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -59.24 -39.33 82.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.893 174.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.3 tmm_? -57.85 -47.95 81.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.886 177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -65.68 -39.14 90.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.863 -176.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -64.9 -46.69 80.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.97 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.3 mt -62.17 -42.13 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -60.69 -47.74 84.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.979 -178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.61 -41.49 68.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -174.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 42.9 t -63.61 -33.59 62.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -90.44 2.01 56.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 44.42 47.86 8.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 74.0 p -150.28 165.24 33.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 -173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -62.96 -179.94 0.32 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 168.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -50.53 160.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.938 -176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.62 162.18 50.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.563 0.697 . . . . 0.0 111.171 -170.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -52.53 123.48 12.94 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.672 2.248 . . . . 0.0 112.379 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 25.3 ptp -162.25 158.98 25.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -178.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 89.0 t -131.55 139.1 51.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.153 176.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.4 HD23 ' HB2' ' A' ' 134' ' ' ALA . 53.8 tp -100.45 120.51 40.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 92.0 t -124.92 134.72 66.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.17 -174.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.98 125.26 6.68 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.478 177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -100.24 169.43 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.919 0.39 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 83.4 mttt 66.72 33.62 6.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.897 175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 90.1 m -71.41 -7.94 50.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -95.64 2.21 53.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 176.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 85' ' ' ASN . 55.6 tp -79.56 132.41 36.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.796 177.282 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -77.21 -48.02 18.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.067 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -78.75 81.58 5.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.155 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -117.82 154.82 31.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 68.4 p -124.63 20.56 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.114 177.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.2 t -121.47 115.61 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 170.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -74.04 135.2 43.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 168.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 74.8 m -56.06 -37.45 69.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.903 -177.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.29 -40.57 90.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -67.34 -46.73 72.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.03 97.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.098 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.29 -43.17 91.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.85 -37.12 86.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.11 -47.42 85.32 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 174.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.4 ' HB2' HD23 ' A' ' 113' ' ' LEU . . . -64.23 -38.62 91.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 175.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.33 -41.03 98.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.818 -178.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 88.7 p -66.89 -24.06 66.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 178.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -92.0 -4.2 54.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 72.66 26.48 71.42 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.501 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.43 ' HB ' ' HD2' ' A' ' 140' ' ' PRO . 50.1 pt -123.8 158.68 59.0 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.673 0.749 . . . . 0.0 111.113 -175.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.43 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 69.3 Cg_endo -73.88 146.19 37.28 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.759 2.306 . . . . 0.0 112.257 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 52.1 t80 -116.02 123.49 48.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 177.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.6 mt -124.82 127.61 72.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -176.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -98.36 136.5 38.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 174.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 15.1 t -141.67 159.26 42.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.179 -173.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.419 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 42.5 t -132.05 120.69 22.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.95 173.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.35 7.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.127 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.402 ' HG2' HG23 ' A' ' 148' ' ' THR . 88.6 tttt -57.99 -64.55 0.87 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.889 -174.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.402 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.9 p -141.17 -40.06 0.4 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 175.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.419 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 51.8 ttt85 -62.3 105.59 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -173.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -83.84 103.78 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -112.41 -16.02 9.19 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.446 167.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 9.6 p -69.4 -33.63 58.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 111.126 177.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -65.27 -48.91 71.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.993 176.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.82 -34.8 75.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.828 174.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.29 -41.24 96.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.145 175.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.38 -47.5 85.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.8 m-30 -68.05 -44.94 75.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.441 ' HA ' ' HE ' ' A' ' 161' ' ' ARG . 71.0 m -61.73 -44.56 96.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 35.2 tp -61.96 -41.24 97.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 46.8 t -62.79 -41.2 91.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 173.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 158' ' ' THR . 86.6 mtm180 -63.14 -36.02 82.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 177.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -67.48 -38.38 84.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.925 175.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.96 -37.38 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.174 174.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 27.3 mtp-105 -64.26 -21.96 66.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.795 -178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -90.57 3.12 54.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.915 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 72.4 m80 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 176.787 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.867 0.365 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.8 m -64.65 131.7 47.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.127 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -120.76 135.61 55.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 175.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -114.91 123.09 48.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.834 178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -111.13 107.58 16.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -171.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.3 mt -109.04 139.98 43.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.962 -175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.9 t -107.41 123.47 62.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.079 177.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 87.4 t -106.89 127.07 62.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.096 -173.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.26 163.62 37.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.104 -175.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 159.69 160.86 10.78 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.448 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 62' ' ' GLU . . . -71.28 158.73 35.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.768 0.318 . . . . 0.0 111.158 -177.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.05 137.26 43.53 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.523 -178.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 136.13 -5.05 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.426 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -114.73 173.32 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.123 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -112.74 58.97 0.39 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.525 -171.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -54.24 -43.48 70.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.747 0.308 . . . . 0.0 110.877 -173.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.5 m -66.56 -40.94 89.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.11 -177.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.56 -42.49 74.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.962 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.5 p -63.83 -32.84 74.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.21 -38.2 82.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -54.42 -49.9 68.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.24 -43.13 98.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -176.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 40' ' ' TYR . 91.5 mt -71.95 -38.26 63.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.15 -172.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -95.51 1.29 53.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.957 -172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 55.62 41.37 30.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 39.2 m170 -134.45 150.02 50.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -172.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.6 m-30 -94.76 113.8 25.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 172.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.3 t -118.54 104.87 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.184 -173.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -102.3 91.02 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -171.68 177.0 3.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 175.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -101.13 126.09 47.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.937 -172.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -132.4 92.84 26.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.822 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -79.98 134.08 10.41 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.725 2.283 . . . . 0.0 112.419 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 79.7 p -154.98 -169.4 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 tt -159.97 129.41 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 -175.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 54.97 69.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.882 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -137.1 120.88 17.43 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -172.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 87.2 p -99.48 147.32 25.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 -175.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.423 ' HB3' HD11 ' A' ' 24' ' ' ILE . 96.4 m-85 -132.87 144.95 50.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 174.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -131.4 137.55 48.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.5 tmtm? -150.12 129.43 12.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -76.04 124.1 26.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -178.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.8 m -134.13 165.59 31.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.97 0.414 . . . . 0.0 111.073 -172.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.8 t -116.3 114.12 45.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.178 168.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -118.69 122.86 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -175.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 58.89 35.21 24.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.85 -9.11 60.69 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.469 178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 tt0 -94.06 131.64 39.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.936 0.398 . . . . 0.0 110.9 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 95.2 m -87.72 124.12 33.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.139 176.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.0 p -155.02 170.7 21.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.851 -169.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 58.5 tp -105.34 123.99 48.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 175.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.59 114.76 27.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.946 -178.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -110.59 110.23 20.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -177.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.23 125.2 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.124 -174.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.85 117.81 35.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 -179.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -99.25 121.01 40.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 58.9 p -86.61 169.02 13.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.14 137.85 13.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.071 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -61.78 -10.94 27.75 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.519 166.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -89.62 121.15 31.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.706 0.289 . . . . 0.0 110.924 172.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 11' ' ' ALA . 17.3 pm0 -69.64 -14.91 63.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.814 -177.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.456 ' O ' ' C ' ' A' ' 64' ' ' TYR . 98.5 mt-10 -80.81 -6.3 58.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.456 ' C ' ' O ' ' A' ' 63' ' ' GLU . 23.5 p90 -33.46 133.21 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.3 p -95.58 -169.44 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.802 -169.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.2 -24.43 54.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.04 -177.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.1 mmm -59.32 -27.99 66.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -89.89 -19.66 24.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -63.05 -15.9 58.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -46.67 -39.32 11.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 -63.15 -30.09 71.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.974 -179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 97.2 mtp -60.43 -26.34 66.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.947 -175.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -54.61 -27.9 42.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.907 177.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 46.7 m -49.35 -46.12 46.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 174.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.25 -44.69 3.31 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 157.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -46.48 -69.83 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.883 0.373 . . . . 0.0 110.924 -169.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.667 ' HA3' HD11 ' A' ' 163' ' ' ILE . . . -152.65 161.31 29.45 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.424 -172.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -131.23 127.64 38.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -174.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 52.3 tp -98.51 120.85 39.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.842 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 87.0 m -102.27 110.08 21.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -177.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.12 129.95 67.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -126.6 165.22 19.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.806 175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -101.63 142.69 32.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 174.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 4.7 tp -56.25 -21.07 11.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -99.04 0.98 44.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' HB3' ' HB2' ' A' ' 89' ' ' SER . 70.8 m-20 -110.76 80.73 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -178.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.8 m -61.35 -44.77 96.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 174.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -54.02 -33.31 56.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 86' ' ' ASN . 30.9 t -53.71 -28.23 32.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.879 -175.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -65.41 -41.96 93.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.94 -179.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.79 -35.03 72.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.961 177.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -64.67 -41.54 96.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 85.0 mt -65.03 -38.99 84.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.124 177.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -61.39 -44.27 97.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -61.57 -43.77 98.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.914 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.6 m-30 -58.09 -42.53 85.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.958 174.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -57.98 -47.44 82.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.863 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.66 -36.92 81.62 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.03 -42.11 90.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.947 178.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 77.3 mt -58.42 -41.31 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.145 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -62.32 -43.7 98.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -70.47 -39.96 73.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.845 -177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 54.9 t -66.8 -36.21 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.111 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 10.6 mmpt? -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 44.75 46.51 8.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 78.0 p -151.67 159.78 43.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -173.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 51.5 p30 -63.16 -178.55 0.24 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.823 168.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -49.87 160.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -172.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.417 ' HB ' ' HD2' ' A' ' 110' ' ' PRO . 32.6 m -135.34 163.27 52.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 111.169 -166.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 109' ' ' VAL . 71.3 Cg_exo -51.34 123.95 13.12 Favored 'Trans proline' 0 N--CA 1.465 -0.175 0 C-N-CA 122.772 2.315 . . . . 0.0 112.295 177.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.439 ' HG3' HG21 ' A' ' 139' ' ' ILE . 25.6 ptp -165.66 157.81 14.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.934 -178.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 91.2 t -133.46 139.75 48.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.17 178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 47.5 tp -99.25 123.49 43.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 84.2 t -125.07 133.18 70.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.16 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -114.13 120.63 5.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.424 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.452 HD21 ' HB2' ' A' ' 146' ' ' ALA . 13.8 t-20 -97.77 165.02 12.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.025 0.44 . . . . 0.0 110.864 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 116' ' ' ASN . 82.9 mttt 72.53 35.95 1.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 176.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 91.4 m -71.49 -9.44 58.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.826 179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -101.22 4.14 41.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 46.4 tp -75.71 134.38 40.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -74.85 -53.44 9.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.048 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -84.38 80.57 9.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.1 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 53.1 ptt85 -111.23 157.57 19.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 75.4 p -126.04 19.56 7.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.11 177.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 97.4 t -127.45 120.55 55.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.112 179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -76.78 129.41 36.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.952 162.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 82.5 p -67.73 -24.42 65.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 -177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.0 -37.71 88.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 177.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -65.8 -43.47 88.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.973 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.25 93.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.094 177.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -63.26 -44.08 96.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 178.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -64.21 -40.6 96.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 83.0 mt -62.45 -42.04 99.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 176.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.19 -39.3 93.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 174.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -63.03 -40.14 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 86.6 p -66.82 -24.54 66.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 177.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -88.6 -5.82 57.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.899 176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.95 24.9 70.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 178.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.439 HG21 ' HG3' ' A' ' 111' ' ' MET . 48.4 pt -126.36 157.96 68.58 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.113 -173.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_endo -75.24 151.61 38.68 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.729 2.286 . . . . 0.0 112.303 178.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -120.99 132.26 54.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . . . . . . . . . 91.8 mt -122.33 124.26 70.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.076 -177.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -85.17 128.62 34.74 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 168.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . 0.433 ' HB ' ' HA3' ' A' ' 151' ' ' GLY . 15.3 t -137.57 161.71 35.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.119 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 41.2 t -135.55 120.17 18.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.922 171.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . 0.452 ' HB2' HD21 ' A' ' 116' ' ' ASN . . . -49.93 -26.85 4.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.065 -179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 148' ' ' THR . 87.3 tttt -57.01 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.875 -171.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 147' ' ' LYS . 68.3 p -142.46 -40.41 0.34 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.076 175.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . . . . . . . . . 35.2 ttt85 -62.05 100.34 0.16 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -79.11 105.36 10.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -174.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . 0.433 ' HA3' ' HB ' ' A' ' 144' ' ' THR . . . -102.8 -8.32 42.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 162.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 74.8 t -69.24 -48.66 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.758 0.313 . . . . 0.0 111.131 -176.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.8 -46.74 86.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -59.16 -38.42 79.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.29 -41.29 98.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -62.72 -49.31 75.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 176.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 8.0 m-30 -68.41 -42.42 79.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -174.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . . . . . . . . . 83.9 m -60.39 -46.5 89.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.161 177.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 40.4 tp -59.65 -42.48 92.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 176.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 39.0 t -60.53 -41.97 89.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 174.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -63.24 -44.2 95.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.843 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -66.49 -38.47 87.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.969 -178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . 0.667 HD11 ' HA3' ' A' ' 77' ' ' GLY . 83.1 mt -64.86 -45.31 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.168 174.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -65.07 -27.29 68.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.785 -178.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -99.43 12.32 36.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 -178.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.814 -179.034 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.5 mmm . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.1 m -61.83 123.17 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.125 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -128.37 135.84 50.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 173.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -129.01 130.02 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.93 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -96.43 119.99 35.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.918 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 tt -113.53 122.4 47.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.922 -178.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.3 t -104.66 125.06 59.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 -174.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.7 130.31 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.082 -177.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.8 p -136.47 149.95 27.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.147 -173.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.38 171.01 38.27 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.1 161.66 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 111.1 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.13 139.92 40.97 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.454 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 120.66 -4.71 11.81 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.474 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.7 m -120.49 162.65 18.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.848 0.356 . . . . 0.0 111.132 176.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -104.01 57.65 0.53 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 -171.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.455 ' NZ ' ' HB2' ' A' ' 16' ' ' LYS . 8.9 mtmp? -55.23 -46.98 75.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.79 0.329 . . . . 0.0 110.868 178.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 57.4 m -67.14 -38.11 84.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 178.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.9 -41.02 97.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.064 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.0 -41.55 95.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.942 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 96.1 m -62.76 -44.54 95.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 176.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.5 mt -61.01 -42.2 92.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 63.9 mt-30 -60.99 -48.1 83.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.915 -177.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 51.5 tp -70.01 -41.06 74.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -176.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.1 mm -68.14 -33.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.153 -176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -108.1 0.56 21.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 56.66 45.08 22.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -124.53 162.5 23.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 -175.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.401 ' HD1' ' HA ' ' A' ' 28' ' ' PHE . 5.9 m-30 -107.45 112.47 25.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 172.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 83.1 t -119.3 104.32 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -175.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -100.13 84.31 2.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.868 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -174.87 175.11 2.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.976 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -97.85 122.76 41.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -128.43 89.57 49.27 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.618 0.723 . . . . 0.0 110.847 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -78.99 144.01 18.5 Favored 'Trans proline' 0 N--CA 1.464 -0.224 0 C-N-CA 122.695 2.263 . . . . 0.0 112.399 178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.8 t -160.31 -175.01 4.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 80.4 mt -141.73 122.33 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.194 -177.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 50.88 64.35 1.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 178.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -126.64 100.4 6.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -174.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 99.6 p -91.32 152.12 20.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.818 -171.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -132.75 143.66 49.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.888 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HD3' HD21 ' A' ' 52' ' ' LEU . 42.7 ttm180 -126.36 139.64 53.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.874 -172.69 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 25.8 tptp -159.67 134.61 7.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 178.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -73.3 123.66 24.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 171.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.3 m -135.86 163.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 95.9 t -110.88 118.43 57.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.089 172.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.2 mt -118.35 119.91 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.131 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.2 t0 62.7 34.91 14.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.844 179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.58 -9.02 60.17 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.578 178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -99.1 127.94 45.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.032 0.444 . . . . 0.0 110.819 -179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 90.4 m -81.91 129.1 34.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.124 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.7 p -151.43 170.06 20.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -174.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.415 HD21 ' HD3' ' A' ' 41' ' ' ARG . 62.3 tp -106.06 119.99 40.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 176.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 68.1 tp -99.7 113.95 26.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -175.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -105.02 110.14 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 174.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.9 mt -98.9 119.86 47.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.16 -174.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.9 mt -107.01 115.38 30.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 -176.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -88.48 137.13 32.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -85.23 166.62 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 169.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -54.25 135.58 44.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.088 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -62.39 -16.1 53.71 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.501 174.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -85.08 122.34 29.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.741 0.305 . . . . 0.0 110.875 174.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 18.0 pm0 -67.3 -17.21 64.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' TYR . 99.0 mt-10 -75.13 -3.42 32.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' GLU . 34.3 p90 -33.74 132.62 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 175.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.6 p -96.03 -165.86 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.8 -175.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -60.27 -16.6 35.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.116 176.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 99.2 mmm -59.39 -30.81 68.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 175.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -89.95 -19.92 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 179.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -62.51 -17.91 60.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.863 176.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -46.18 -37.89 7.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 172.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -62.56 -28.63 70.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 96.1 mmm -59.93 -24.19 64.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -53.0 -30.03 32.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 80.6 m -56.76 -56.37 22.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 75.09 0.53 61.03 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.548 160.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -82.99 -62.81 1.5 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.941 0.4 . . . . 0.0 110.905 -176.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -155.3 153.18 24.59 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.44 178.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -137.33 135.23 36.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.879 0.371 . . . . 0.0 110.866 -173.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 59.0 tp -102.14 123.65 46.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.947 178.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 96.4 m -102.47 115.71 31.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.9 t -110.16 129.01 65.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 -175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -136.7 167.77 20.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -109.56 139.8 44.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 44.3 pt -72.18 -9.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.107 -171.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -92.5 0.06 57.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -107.16 102.44 11.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.812 177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 85.2 m -66.13 -46.68 76.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.111 169.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -59.41 -30.99 68.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 76.1 p -56.03 -31.0 62.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 -172.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 6.4 m-30 -66.8 -42.84 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.936 178.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -65.25 -38.62 90.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -62.56 -46.07 90.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 178.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.01 -44.62 99.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.087 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -66.23 -48.57 70.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.908 -176.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 mt-30 -64.98 -48.24 74.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.913 -176.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -64.77 -32.47 74.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 178.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -60.61 -45.91 92.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 176.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -70.95 -40.61 71.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -66.72 -48.24 69.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.964 -179.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.2 mt -61.23 -37.6 77.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.448 ' HA ' ' HE2' ' A' ' 104' ' ' LYS . 89.2 tttt -58.87 -40.11 83.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -70.67 -39.57 73.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 177.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.0 t -63.35 -40.07 87.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.057 -178.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 101' ' ' LYS . 56.7 pttt -84.94 -4.48 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.977 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 39.4 t0 44.05 48.15 7.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -178.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.5 m -143.95 157.05 44.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.848 -179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.401 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 47.8 p30 -68.58 174.09 4.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 175.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -65.08 158.6 25.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.57 161.78 61.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.748 0.785 . . . . 0.0 111.107 -166.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -49.99 127.57 19.74 Favored 'Trans proline' 0 C--N 1.343 0.259 0 C-N-CA 122.659 2.24 . . . . 0.0 112.418 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.476 ' HG3' HG21 ' A' ' 139' ' ' ILE . 22.2 ptm -159.95 156.0 26.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.979 -172.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 95.0 t -129.77 137.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.159 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 48.7 tp -105.03 122.29 45.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.955 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.434 HG12 ' HB ' ' A' ' 142' ' ' ILE . 21.8 m -126.99 142.84 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -178.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -115.05 128.6 8.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.401 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -100.22 169.67 8.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.081 0.467 . . . . 0.0 110.78 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 69.6 38.03 1.81 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.959 174.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 93.2 m -77.12 -9.86 59.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -89.82 -8.84 51.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 175.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.9 tp -82.22 128.2 33.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 174.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -84.28 -34.84 23.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.91 81.11 2.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.176 176.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.23 159.87 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -175.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 76.7 p -129.74 17.81 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.114 -177.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.0 t -122.31 112.82 36.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 171.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -76.09 144.57 40.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.844 171.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 89.5 p -62.37 -26.84 68.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.808 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -61.53 -44.56 96.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 174.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HB2' HE21 ' A' ' 129' ' ' GLN . 19.4 mt-30 -70.52 -44.41 67.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -177.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.87 -40.9 95.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.084 -179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -65.03 -41.52 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.924 177.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -63.97 -38.72 92.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 66.9 tp -63.1 -45.41 92.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.767 176.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.98 -39.49 93.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.064 176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ARG . . . . . . . . . . . . . 80.9 ttt180 -64.85 -37.5 87.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.793 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 75.5 m -64.48 -29.31 70.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 177.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 17.9 m-30 -90.91 -4.3 56.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 74.98 29.54 60.61 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.476 HG21 ' HG3' ' A' ' 111' ' ' MET . 46.9 pt -128.54 158.51 71.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.541 0.686 . . . . 0.0 111.137 -172.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.431 ' HD2' ' HB ' ' A' ' 139' ' ' ILE . 73.9 Cg_endo -74.72 152.35 42.16 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.354 177.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -118.66 130.02 55.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.991 175.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ILE . . . . . 0.434 ' HB ' HG12 ' A' ' 114' ' ' VAL . 94.0 mt -122.18 130.49 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.136 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.69 131.83 36.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 170.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' THR . . . . . . . . . . . . . 13.2 t -143.99 161.4 38.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.163 -175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.423 ' HB3' ' HB3' ' A' ' 149' ' ' ARG . 45.4 t -130.94 120.52 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 173.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -56.28 -22.56 30.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.079 -177.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -58.86 -64.7 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 -176.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 24.6 p -139.81 -40.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.204 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ARG . . . . . 0.423 ' HB3' ' HB3' ' A' ' 145' ' ' SER . 39.5 ttt85 -65.11 103.13 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -83.96 110.17 18.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.867 -175.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLY . . . . . . . . . . . . . . . -109.39 -8.37 27.02 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 168.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' VAL . . . . . . . . . . . . . 8.8 p -68.67 -34.86 67.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.762 0.315 . . . . 0.0 111.068 -177.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -67.39 -47.98 68.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.843 178.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -61.44 -36.46 80.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.41 99.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.188 176.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 17.0 m-30 -63.51 -47.2 82.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 177.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 10.0 m-30 -65.27 -45.75 83.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' THR . . . . . 0.406 HG21 ' HG3' ' A' ' 140' ' ' PRO . 92.9 m -61.71 -44.31 97.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' LEU . . . . . . . . . . . . . 69.5 tp -56.28 -50.74 70.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.951 178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 64.0 t -65.24 -43.08 95.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -178.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -64.29 -40.4 95.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -177.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -65.17 -39.7 93.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ILE . . . . . . . . . . . . . 87.9 mt -62.29 -39.81 85.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.185 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.3 -28.49 69.36 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -178.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -98.71 6.66 46.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.908 -175.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' HIS . . . . . . . . . . . . . 70.9 m80 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.715 178.507 . . . . . . . . 0 0 . 1 stop_ save_