data_2edh_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 2edh _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.958 0.408 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.924 0.392 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.876 0.369 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -138.78 84.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.78 92.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 111.33 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -80.82 112.66 18.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -91.98 -31.35 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.3 -52.08 0.85 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -55.68 112.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -114.11 138.97 49.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -172.18 98.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.57 42.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptm -144.46 115.58 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.75 139.87 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.969 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.21 111.32 23.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -95.02 164.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -124.52 53.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.98 172.22 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.97 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.554 0.692 . . . . 0.0 110.977 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.01 10.11 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -120.39 132.19 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.93 9.59 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.33 168.37 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.9 -168.98 54.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -140.62 151.83 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.4 t -82.78 147.18 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p -135.25 170.34 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 60.73 178.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.27 110.75 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.41 139.19 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t 59.18 77.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 55.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 149.01 22.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -140.88 -64.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.23 170.91 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.41 -64.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 36.9 mtt -90.14 115.58 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.55 40.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.79 111.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -88.48 -26.86 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 60.97 -176.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 168.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.07 160.67 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.14 2.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -125.66 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.66 51.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t -90.53 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.1 -172.18 35.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.12 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -167.15 37.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.4 m -62.14 141.17 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.45 123.36 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -116.53 -29.73 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.92 96.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.97 -174.76 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -78.17 -179.43 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 -112.94 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 61.52 41.77 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -130.89 143.65 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -177.86 100.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.7 142.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.91 146.91 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.93 114.33 26.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.98 127.28 19.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t 65.19 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -122.78 128.6 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.24 170.75 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.14 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.657 0.741 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 157.04 61.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.4 mt -110.64 135.7 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.25 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.48 112.57 12.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.81 173.79 47.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 98.79 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 t -138.27 125.5 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -41.86 88.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 167.02 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.39 -60.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.36 -99.12 1.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.17 103.01 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.18 88.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 58.71 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -106.43 141.92 36.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.2 m -121.74 -65.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 60.13 -172.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.89 126.38 52.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.25 156.08 45.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.89 67.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.97 158.74 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.39 138.32 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -145.22 164.97 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 83.93 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.11 159.24 78.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.72 67.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -108.06 128.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.01 61.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t -69.22 -37.28 77.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.59 -177.27 33.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 105.79 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -96.32 30.97 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.2 p -111.95 -38.05 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 117.34 8.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -152.93 125.33 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.08 155.24 16.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 59.39 66.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -77.84 158.59 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 151.18 4.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -141.05 43.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m 61.73 81.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -79.82 -57.76 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.2 115.44 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.09 38.38 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.12 44.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 136.18 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.7 172.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 58.5 91.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.79 -169.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 158.68 31.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 166.25 28.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.66 133.71 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 135.35 30.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.66 175.49 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.04 170.18 23.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.47 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 m -82.07 89.84 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -132.26 116.79 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.93 153.36 43.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.43 -158.88 5.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 -38.71 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.47 -172.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 62.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 117.2 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.17 166.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -136.8 143.4 43.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.6 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -60.73 164.85 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.21 84.64 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.79 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.5 -70.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -127.24 176.36 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.34 159.14 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -161.92 154.84 17.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.77 62.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt -107.95 128.72 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.16 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -30.2 71.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.25 177.18 46.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.55 16.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.14 118.28 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.33 140.2 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -109.3 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -92.0 166.03 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.27 34.83 0.71 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -52.32 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 57.04 66.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 -65.58 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -69.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -134.16 104.82 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -167.7 75.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.02 175.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -166.22 138.54 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.13 127.31 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.91 119.52 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.23 142.76 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -86.11 -63.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.19 147.45 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.24 160.63 28.48 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt -119.86 141.43 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.05 99.64 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.59 172.27 29.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.33 163.22 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 121.98 27.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.85 30.95 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -122.54 162.51 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.48 116.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -114.08 57.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 150.07 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.68 113.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.47 179.13 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.69 176.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -101.34 153.41 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.8 98.43 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtp 62.38 179.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -131.27 -174.03 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -76.4 148.52 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -122.06 122.35 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -141.63 -173.23 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.33 178.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.02 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt -137.69 145.0 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -74.25 -51.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.55 -165.88 11.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.04 18.62 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.38 173.41 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 m -140.28 127.11 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 59.11 -177.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.62 137.33 52.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -117.05 51.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p 62.78 167.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 -111.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -111.16 145.88 37.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.53 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -158.43 97.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.19 136.94 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptm -131.45 133.9 45.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.9 106.54 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 27.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -84.68 162.29 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.83 -43.8 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.55 93.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.17 160.66 63.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -133.08 123.61 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 82.62 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.36 99.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 111.26 -175.08 17.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.55 49.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -124.25 152.96 42.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.95 173.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -153.3 159.09 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -147.54 45.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.39 -125.13 8.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.38 115.28 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -170.13 116.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 25.63 4.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.23 135.65 53.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.833 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -32.28 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m 60.0 55.03 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.03 76.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -89.86 -33.72 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.68 139.71 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.04 155.91 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.98 70.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.16 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.42 -178.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.16 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.707 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.83 2.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.9 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t 59.05 35.82 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.64 -171.84 2.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.6 26.18 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -107.58 99.6 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 147.56 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m 54.38 55.51 8.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -108.87 160.19 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.85 148.83 26.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.55 87.76 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 135.92 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 -174.47 22.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -76.52 -47.88 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 60.95 92.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 167.86 22.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 164.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 mtt -143.87 80.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.28 131.44 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -56.19 158.26 4.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -136.12 138.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.28 48.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.15 -179.43 7.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.06 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 173.98 10.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt -122.13 121.18 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.53 60.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -125.33 86.64 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -129.87 -169.39 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.86 -171.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.24 132.13 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -60.74 101.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.82 173.23 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.3 123.64 0.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 -58.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 96.33 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.54 -56.97 15.16 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -117.27 164.58 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 m -98.48 100.09 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.18 125.29 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.21 172.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -106.02 174.43 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.79 162.37 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.94 153.91 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -142.91 135.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.91 -64.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -176.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 63.15 160.71 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.02 2.65 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.46 130.12 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.85 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.1 m -120.58 -70.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.58 171.57 16.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 170.95 15.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -78.76 178.8 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.88 177.54 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.55 -173.1 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -64.41 -177.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.85 -31.43 0.67 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -83.12 67.49 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.29 175.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 164.83 12.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.65 43.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.31 156.0 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.6 m 61.74 173.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.06 122.97 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 37.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.66 143.53 49.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.1 p -116.98 137.36 52.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.2 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 50.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.27 176.73 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.13 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.62 0.724 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 178.77 4.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.43 128.04 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.04 9.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.4 m -137.17 51.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 179.85 32.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.95 66.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -160.0 -43.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.3 143.93 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 60.49 -179.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.29 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 142.9 19.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -137.33 144.02 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -128.61 166.95 17.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.71 -79.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -163.78 -170.9 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.8 138.83 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -55.04 150.9 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.043 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 7.7 ptm -86.11 -32.21 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.8 mp -69.02 168.49 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.81 135.21 43.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.24 126.91 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.84 156.95 45.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.77 84.29 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 160.65 9.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.47 53.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -118.6 136.38 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.1 m -87.77 166.15 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.97 -177.16 36.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.39 34.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.287 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 m -91.61 160.0 15.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.8 t -113.53 82.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -128.44 35.27 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 127.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 107.8 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -144.56 123.47 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -147.62 149.4 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.42 105.16 3.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -141.53 162.01 36.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.56 109.64 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -106.82 120.97 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.04 -176.79 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.2 147.23 53.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.55 144.15 39.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.14 -175.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.9 129.13 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -132.68 151.87 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.55 100.75 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 160.61 25.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.44 60.37 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt -94.41 125.32 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -171.16 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -176.11 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.61 169.68 25.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.72 3.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.59 140.39 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -163.71 90.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.435 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.66 168.03 3.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -83.63 78.65 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.81 -24.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -147.93 102.74 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -94.4 133.4 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.24 84.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.86 -58.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 t -61.72 153.05 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -149.38 96.3 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.84 61.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -152.09 155.64 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.67 158.47 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.14 148.31 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.6 -27.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.174 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.26 -176.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 57.52 59.55 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.49 160.69 5.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.717 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.01 7.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.64 130.19 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 151.15 68.55 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.1 92.85 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.98 175.05 34.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 154.72 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.94 31.84 5.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m 55.67 44.99 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.72 139.0 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 96.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -152.27 167.22 29.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -170.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.55 -174.64 24.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 176.34 5.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -55.84 169.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.83 -50.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.93 171.19 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 72.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.92 161.6 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.88 98.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.49 -68.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -127.15 -60.88 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.52 -169.86 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.73 158.66 31.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.23 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt -128.58 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.33 4.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -60.68 -51.69 68.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.66 -173.54 20.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.33 31.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 t -146.62 73.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.6 m 54.19 60.01 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 104.58 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -118.0 -171.55 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.03 57.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.31 148.11 50.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -168.18 148.25 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -135.58 1.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 170.62 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.8 p -129.41 131.02 46.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -143.2 36.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 146.6 40.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -179.13 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tp 58.86 -178.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -108.29 144.4 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -108.16 139.04 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.69 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.93 114.86 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.39 159.25 75.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -131.67 132.77 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.2 p -171.65 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.14 -171.57 21.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -150.65 65.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.7 p -114.5 127.93 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 52.09 77.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -158.49 114.94 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.2 31.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m 62.12 -176.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.91 -64.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.71 73.0 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.29 96.22 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -118.25 40.75 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.58 106.94 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.49 114.03 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 61.98 174.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.23 75.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -130.78 118.8 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.64 136.92 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -65.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.92 78.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.72 160.68 33.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.31 69.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.727 2.285 . . . . 0.0 112.298 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt -108.45 130.81 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 t -56.68 142.37 40.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.06 179.35 43.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 90.64 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.27 -59.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 p -171.13 126.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.43 152.08 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.23 -45.81 83.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.59 94.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -168.37 179.4 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.97 -177.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.89 -50.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -99.49 77.16 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 t -116.86 30.86 7.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.23 123.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.15 92.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.54 153.13 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.77 162.14 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -63.29 163.63 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.35 140.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -108.65 81.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.78 125.25 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.05 160.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -179.41 2.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.28 . . . . 0.0 112.371 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.01 144.57 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 137.75 36.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -101.88 49.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.82 -170.58 39.18 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 -44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -63.65 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 101' ' ' LEU . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.442 ' CE2' HG23 ' A' ' 57' ' ' THR . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 35' ' ' ALA . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.615 ' HB2' HG12 ' A' ' 49' ' ' VAL . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 29' ' ' GLU . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 41' ' ' CYS . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 26' ' ' LEU . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 49' ' ' VAL . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.64 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 47' ' ' ALA . 67.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.634 ' HB3' HD12 ' A' ' 58' ' ' LEU . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 51' ' ' TRP . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.448 ' HB2' HG12 ' A' ' 49' ' ' VAL . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' OE1' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.496 HD23 ' OE1' ' A' ' 29' ' ' GLU . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 53' ' ' LYS . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.435 ' H ' HD23 ' A' ' 89' ' ' LEU . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.733 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' HB3' HD12 ' A' ' 58' ' ' LEU . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 51' ' ' TRP . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' HD13 ' A' ' 66' ' ' LEU . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 60' ' ' ASP . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.733 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 85' ' ' ALA . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.958 0.408 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 58' ' ' LEU . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 57' ' ' THR . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.635 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 51' ' ' TRP . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.404 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 41' ' ' CYS . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 26' ' ' LEU . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.809 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' HG23 ' A' ' 57' ' ' THR . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HB2' HD21 ' A' ' 58' ' ' LEU . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 51' ' ' TRP . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 66' ' ' LEU . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 75' ' ' LEU . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 66' ' ' LEU . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 84' ' ' ASP . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.692 ' HB2' HD23 ' A' ' 80' ' ' LEU . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.663 ' HB2' HG12 ' A' ' 49' ' ' VAL . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 73' ' ' CYS . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 58' ' ' LEU . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 53' ' ' LYS . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.561 ' HB3' HD22 ' A' ' 66' ' ' LEU . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 60' ' ' ASP . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 49' ' ' VAL . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 85' ' ' ALA . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.6 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 53' ' ' LYS . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 85' ' ' ALA . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB3' HD12 ' A' ' 101' ' ' LEU . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 58' ' ' LEU . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.415 ' CE2' HG23 ' A' ' 57' ' ' THR . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 51' ' ' TRP . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.493 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 29' ' ' GLU . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 85' ' ' ALA . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.924 0.392 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 41' ' ' CYS . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' LEU . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HB3' HD23 ' A' ' 26' ' ' LEU . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 58' ' ' LEU . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 51' ' ' TRP . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.658 ' CB ' HD13 ' A' ' 66' ' ' LEU . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.543 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.466 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 29' ' ' GLU . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 92' ' ' CYS . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.602 ' CE2' HG23 ' A' ' 57' ' ' THR . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.602 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 53' ' ' LYS . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.721 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.721 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' H ' HD23 ' A' ' 89' ' ' LEU . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.564 ' HB2' HG12 ' A' ' 49' ' ' VAL . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 97' ' ' THR . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 66' ' ' LEU . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 60' ' ' ASP . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.437 ' H ' HD23 ' A' ' 89' ' ' LEU . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.52 ' HB2' HG12 ' A' ' 49' ' ' VAL . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.619 HG23 HD12 ' A' ' 26' ' ' LEU . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB2' HD21 ' A' ' 58' ' ' LEU . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 53' ' ' LYS . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 35' ' ' ALA . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 85' ' ' ALA . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.876 0.369 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 92' ' ' CYS . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.656 ' CE2' HG23 ' A' ' 57' ' ' THR . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.656 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.714 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.551 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 85' ' ' ALA . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.654 ' CE2' HG23 ' A' ' 57' ' ' THR . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.654 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.717 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.598 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB3' HD12 ' A' ' 58' ' ' LEU . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.443 ' CE2' HG23 ' A' ' 57' ' ' THR . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' HD21 ' A' ' 58' ' ' LEU . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' HB3' ' A' ' 51' ' ' TRP . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD13 ' A' ' 66' ' ' LEU . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 60' ' ' ASP . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.524 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 29' ' ' GLU . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD12 HG23 ' A' ' 97' ' ' THR . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 101' ' ' LEU . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.698 ' CB ' HD13 ' A' ' 66' ' ' LEU . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.435 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.4 HG23 HD12 ' A' ' 26' ' ' LEU . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 85' ' ' ALA . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 39' ' ' LEU . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.405 ' HB3' HD12 ' A' ' 58' ' ' LEU . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.56 ' CE2' HG23 ' A' ' 57' ' ' THR . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' CB ' HD21 ' A' ' 58' ' ' LEU . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 53' ' ' LYS . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.587 ' HG ' HD13 ' A' ' 75' ' ' LEU . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HG ' ' A' ' 66' ' ' LEU . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.586 HD11 ' CB ' ' A' ' 37' ' ' ALA . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.577 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' CYS . . . . . 0.684 ' HB2' HG12 ' A' ' 49' ' ' VAL . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 85' ' ' ALA . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 75' ' ' LEU . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.424 HD22 HD22 ' A' ' 26' ' ' LEU . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD11 ' CG1' ' A' ' 49' ' ' VAL . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' CG1' HD11 ' A' ' 43' ' ' LEU . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CD2' HD22 ' A' ' 75' ' ' LEU . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 57' ' ' THR . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' TRP . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.713 ' HB3' HD13 ' A' ' 66' ' ' LEU . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 60' ' ' ASP . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 65' ' ' SER . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 37' ' ' ALA . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.56 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.717 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.717 HG23 ' HB2' ' A' ' 85' ' ' ALA . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -138.78 84.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.78 92.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 111.33 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -80.82 112.66 18.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -91.98 -31.35 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.3 -52.08 0.85 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -55.68 112.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -114.11 138.97 49.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -172.18 98.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.57 42.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptm -144.46 115.58 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.75 139.87 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.969 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.21 111.32 23.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -95.02 164.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -124.52 53.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.98 172.22 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.97 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.554 0.692 . . . . 0.0 110.977 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.01 10.11 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -120.39 132.19 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 101' ' ' LEU . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.442 ' CE2' HG23 ' A' ' 57' ' ' THR . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 35' ' ' ALA . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.615 ' HB2' HG12 ' A' ' 49' ' ' VAL . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 29' ' ' GLU . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.93 9.59 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.33 168.37 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.9 -168.98 54.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -140.62 151.83 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.4 t -82.78 147.18 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p -135.25 170.34 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 60.73 178.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.27 110.75 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.41 139.19 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t 59.18 77.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 55.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 149.01 22.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -140.88 -64.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.23 170.91 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.41 -64.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 36.9 mtt -90.14 115.58 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.55 40.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.79 111.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -88.48 -26.86 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 60.97 -176.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 168.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.07 160.67 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.14 2.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -125.66 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 41' ' ' CYS . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 26' ' ' LEU . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 49' ' ' VAL . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.64 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.66 51.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t -90.53 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.1 -172.18 35.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.12 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -167.15 37.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.4 m -62.14 141.17 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.45 123.36 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -116.53 -29.73 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.92 96.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.97 -174.76 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -78.17 -179.43 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 -112.94 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 61.52 41.77 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -130.89 143.65 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -177.86 100.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.7 142.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.91 146.91 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.93 114.33 26.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.98 127.28 19.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t 65.19 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -122.78 128.6 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.24 170.75 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.14 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.657 0.741 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 157.04 61.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 47' ' ' ALA . 67.4 mt -110.64 135.7 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.634 ' HB3' HD12 ' A' ' 58' ' ' LEU . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 51' ' ' TRP . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.448 ' HB2' HG12 ' A' ' 49' ' ' VAL . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.25 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.48 112.57 12.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.81 173.79 47.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 98.79 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 t -138.27 125.5 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -41.86 88.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 167.02 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.39 -60.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.36 -99.12 1.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.17 103.01 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.18 88.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 58.71 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -106.43 141.92 36.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.2 m -121.74 -65.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 60.13 -172.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.89 126.38 52.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.25 156.08 45.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.89 67.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.97 158.74 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.39 138.32 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -145.22 164.97 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 83.93 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.11 159.24 78.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.72 67.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -108.06 128.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' OE1' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.496 HD23 ' OE1' ' A' ' 29' ' ' GLU . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 53' ' ' LYS . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.435 ' H ' HD23 ' A' ' 89' ' ' LEU . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.01 61.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t -69.22 -37.28 77.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.59 -177.27 33.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 105.79 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -96.32 30.97 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.2 p -111.95 -38.05 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 117.34 8.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -152.93 125.33 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.08 155.24 16.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 59.39 66.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -77.84 158.59 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 151.18 4.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -141.05 43.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m 61.73 81.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -79.82 -57.76 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.2 115.44 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.09 38.38 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.12 44.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 136.18 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.7 172.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 58.5 91.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.79 -169.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 158.68 31.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 166.25 28.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.66 133.71 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.733 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' HB3' HD12 ' A' ' 58' ' ' LEU . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 51' ' ' TRP . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' HD13 ' A' ' 66' ' ' LEU . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 60' ' ' ASP . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.733 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 85' ' ' ALA . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 135.35 30.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.66 175.49 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.04 170.18 23.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.47 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 m -82.07 89.84 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -132.26 116.79 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.93 153.36 43.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.43 -158.88 5.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 -38.71 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.47 -172.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 62.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 117.2 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.17 166.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -136.8 143.4 43.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.6 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -60.73 164.85 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.21 84.64 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.79 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.5 -70.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -127.24 176.36 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.34 159.14 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -161.92 154.84 17.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.77 62.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt -107.95 128.72 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 58' ' ' LEU . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 57' ' ' THR . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.635 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 51' ' ' TRP . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.404 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.16 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -30.2 71.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.25 177.18 46.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.55 16.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.14 118.28 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.33 140.2 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -109.3 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -92.0 166.03 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.27 34.83 0.71 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -52.32 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 57.04 66.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 -65.58 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -69.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -134.16 104.82 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -167.7 75.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.02 175.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -166.22 138.54 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.13 127.31 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.91 119.52 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.23 142.76 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -86.11 -63.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.19 147.45 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -97.24 160.63 28.48 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' HD23 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.74 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt -119.86 141.43 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 41' ' ' CYS . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 26' ' ' LEU . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.809 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' HG23 ' A' ' 57' ' ' THR . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HB2' HD21 ' A' ' 58' ' ' LEU . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 51' ' ' TRP . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 66' ' ' LEU . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 75' ' ' LEU . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 66' ' ' LEU . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 84' ' ' ASP . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.692 ' HB2' HD23 ' A' ' 80' ' ' LEU . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.663 ' HB2' HG12 ' A' ' 49' ' ' VAL . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.05 99.64 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.59 172.27 29.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.33 163.22 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 121.98 27.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.85 30.95 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -122.54 162.51 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.48 116.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -114.08 57.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 150.07 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.68 113.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.47 179.13 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.69 176.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -101.34 153.41 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.8 98.43 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtp 62.38 179.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -131.27 -174.03 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -76.4 148.52 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -122.06 122.35 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -141.63 -173.23 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.33 178.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.02 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt -137.69 145.0 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 73' ' ' CYS . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 58' ' ' LEU . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 53' ' ' LYS . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.561 ' HB3' HD22 ' A' ' 66' ' ' LEU . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 60' ' ' ASP . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 49' ' ' VAL . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 85' ' ' ALA . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -74.25 -51.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.55 -165.88 11.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.04 18.62 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.38 173.41 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 m -140.28 127.11 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 59.11 -177.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.62 137.33 52.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -117.05 51.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p 62.78 167.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 -111.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -111.16 145.88 37.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.53 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -158.43 97.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.19 136.94 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptm -131.45 133.9 45.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.9 106.54 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 27.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -84.68 162.29 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.83 -43.8 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.55 93.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -138.17 160.66 63.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 18' ' ' LEU . 53.5 Cg_endo -69.77 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -133.08 123.61 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.6 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 53' ' ' LYS . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 85' ' ' ALA . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 82.62 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.36 99.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 111.26 -175.08 17.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.55 49.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -124.25 152.96 42.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.95 173.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -153.3 159.09 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -147.54 45.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.39 -125.13 8.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.38 115.28 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -170.13 116.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 25.63 4.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.23 135.65 53.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.833 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -32.28 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m 60.0 55.03 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.03 76.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -89.86 -33.72 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.68 139.71 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.04 155.91 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.98 70.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.16 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.42 -178.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.16 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.707 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.83 2.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.9 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB3' HD12 ' A' ' 101' ' ' LEU . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 58' ' ' LEU . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.415 ' CE2' HG23 ' A' ' 57' ' ' THR . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 51' ' ' TRP . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.493 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 29' ' ' GLU . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 85' ' ' ALA . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t 59.05 35.82 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.64 -171.84 2.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.6 26.18 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -107.58 99.6 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 147.56 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m 54.38 55.51 8.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -108.87 160.19 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.85 148.83 26.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.55 87.76 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 135.92 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 -174.47 22.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -76.52 -47.88 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 60.95 92.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 167.86 22.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 164.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 mtt -143.87 80.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.28 131.44 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -56.19 158.26 4.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -136.12 138.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.28 48.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.15 -179.43 7.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.06 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 173.98 10.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt -122.13 121.18 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 41' ' ' CYS . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' LEU . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HB3' HD23 ' A' ' 26' ' ' LEU . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 58' ' ' LEU . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 51' ' ' TRP . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.658 ' CB ' HD13 ' A' ' 66' ' ' LEU . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.466 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 29' ' ' GLU . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.53 60.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -125.33 86.64 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -129.87 -169.39 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.86 -171.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.24 132.13 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -60.74 101.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.82 173.23 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.3 123.64 0.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 -58.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 96.33 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.54 -56.97 15.16 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -117.27 164.58 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 m -98.48 100.09 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.18 125.29 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.21 172.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -106.02 174.43 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.79 162.37 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.94 153.91 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -142.91 135.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.91 -64.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -176.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 63.15 160.71 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.02 2.65 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.46 130.12 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 92' ' ' CYS . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.602 ' CE2' HG23 ' A' ' 57' ' ' THR . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.602 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 53' ' ' LYS . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.721 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.721 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' H ' HD23 ' A' ' 89' ' ' LEU . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.564 ' HB2' HG12 ' A' ' 49' ' ' VAL . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.85 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.1 m -120.58 -70.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.58 171.57 16.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 170.95 15.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -78.76 178.8 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.88 177.54 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.55 -173.1 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -64.41 -177.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.85 -31.43 0.67 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -83.12 67.49 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.29 175.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 164.83 12.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.65 43.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.31 156.0 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.6 m 61.74 173.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.06 122.97 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 37.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.66 143.53 49.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.1 p -116.98 137.36 52.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.2 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 50.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.27 176.73 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.13 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.62 0.724 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 178.77 4.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.43 128.04 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 97' ' ' THR . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 66' ' ' LEU . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 60' ' ' ASP . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.437 ' H ' HD23 ' A' ' 89' ' ' LEU . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.52 ' HB2' HG12 ' A' ' 49' ' ' VAL . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.619 HG23 HD12 ' A' ' 26' ' ' LEU . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.04 9.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.4 m -137.17 51.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 179.85 32.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.95 66.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -160.0 -43.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.3 143.93 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 60.49 -179.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.29 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 142.9 19.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -137.33 144.02 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -128.61 166.95 17.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.71 -79.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -163.78 -170.9 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.8 138.83 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -55.04 150.9 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.043 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 13' ' ' LEU . 7.7 ptm -86.11 -32.21 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' A' ' 12' ' ' MET . 4.8 mp -69.02 168.49 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.81 135.21 43.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.24 126.91 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.84 156.95 45.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.77 84.29 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 160.65 9.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.47 53.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -118.6 136.38 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB2' HD21 ' A' ' 58' ' ' LEU . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 53' ' ' LYS . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 35' ' ' ALA . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 85' ' ' ALA . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.1 m -87.77 166.15 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.97 -177.16 36.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.39 34.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.287 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 m -91.61 160.0 15.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.8 t -113.53 82.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -128.44 35.27 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 127.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 107.8 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -144.56 123.47 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -147.62 149.4 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.42 105.16 3.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -141.53 162.01 36.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.56 109.64 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -106.82 120.97 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.04 -176.79 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.2 147.23 53.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.55 144.15 39.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.14 -175.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.9 129.13 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -132.68 151.87 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.55 100.75 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 160.61 25.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.44 60.37 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt -94.41 125.32 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 92' ' ' CYS . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.656 ' CE2' HG23 ' A' ' 57' ' ' THR . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.656 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.714 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.551 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 85' ' ' ALA . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -171.16 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -176.11 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.61 169.68 25.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.72 3.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.59 140.39 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -163.71 90.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.435 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.66 168.03 3.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -83.63 78.65 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.81 -24.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -147.93 102.74 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -94.4 133.4 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.24 84.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.86 -58.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 t -61.72 153.05 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -149.38 96.3 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.84 61.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -152.09 155.64 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.67 158.47 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.14 148.31 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.6 -27.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.174 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.26 -176.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 57.52 59.55 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.49 160.69 5.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.717 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.01 7.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.64 130.19 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.654 ' CE2' HG23 ' A' ' 57' ' ' THR . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.654 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.717 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.598 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 151.15 68.55 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.1 92.85 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.98 175.05 34.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 154.72 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.94 31.84 5.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m 55.67 44.99 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.72 139.0 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 96.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -152.27 167.22 29.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -170.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.55 -174.64 24.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 176.34 5.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -55.84 169.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.83 -50.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.93 171.19 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 72.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.92 161.6 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.88 98.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.49 -68.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -127.15 -60.88 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.52 -169.86 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.73 158.66 31.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.23 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt -128.58 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB3' HD12 ' A' ' 58' ' ' LEU . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.443 ' CE2' HG23 ' A' ' 57' ' ' THR . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' HD21 ' A' ' 58' ' ' LEU . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' HB3' ' A' ' 51' ' ' TRP . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD13 ' A' ' 66' ' ' LEU . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 60' ' ' ASP . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.524 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 29' ' ' GLU . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.33 4.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -60.68 -51.69 68.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.66 -173.54 20.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.33 31.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 t -146.62 73.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.6 m 54.19 60.01 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 104.58 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -118.0 -171.55 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.03 57.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.31 148.11 50.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -168.18 148.25 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -135.58 1.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 170.62 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.8 p -129.41 131.02 46.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -143.2 36.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 146.6 40.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -179.13 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tp 58.86 -178.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -108.29 144.4 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -108.16 139.04 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.69 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.93 114.86 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.39 159.25 75.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -131.67 132.77 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD12 HG23 ' A' ' 97' ' ' THR . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 101' ' ' LEU . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.698 ' CB ' HD13 ' A' ' 66' ' ' LEU . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.435 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.4 HG23 HD12 ' A' ' 26' ' ' LEU . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 85' ' ' ALA . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.2 p -171.65 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.14 -171.57 21.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -150.65 65.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.7 p -114.5 127.93 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 52.09 77.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -158.49 114.94 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.2 31.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m 62.12 -176.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.91 -64.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.71 73.0 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.29 96.22 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -118.25 40.75 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.58 106.94 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.49 114.03 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 61.98 174.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.23 75.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -130.78 118.8 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.64 136.92 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -65.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.92 78.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.72 160.68 33.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.31 69.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.727 2.285 . . . . 0.0 112.298 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt -108.45 130.81 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 39' ' ' LEU . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.405 ' HB3' HD12 ' A' ' 58' ' ' LEU . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.56 ' CE2' HG23 ' A' ' 57' ' ' THR . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' CB ' HD21 ' A' ' 58' ' ' LEU . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 53' ' ' LYS . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.587 ' HG ' HD13 ' A' ' 75' ' ' LEU . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HG ' ' A' ' 66' ' ' LEU . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.586 HD11 ' CB ' ' A' ' 37' ' ' ALA . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.577 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' CYS . . . . . 0.684 ' HB2' HG12 ' A' ' 49' ' ' VAL . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 85' ' ' ALA . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 t -56.68 142.37 40.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.06 179.35 43.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 90.64 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.27 -59.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 p -171.13 126.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.43 152.08 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.23 -45.81 83.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.59 94.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -168.37 179.4 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.97 -177.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.89 -50.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -99.49 77.16 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 t -116.86 30.86 7.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.23 123.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.15 92.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.54 153.13 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.77 162.14 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -63.29 163.63 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.35 140.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -108.65 81.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.78 125.25 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.05 160.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -179.41 2.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.28 . . . . 0.0 112.371 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.01 144.57 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 75' ' ' LEU . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD22 HD22 ' A' ' 26' ' ' LEU . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD11 ' CG1' ' A' ' 49' ' ' VAL . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' CG1' HD11 ' A' ' 43' ' ' LEU . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CD2' HD22 ' A' ' 75' ' ' LEU . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 57' ' ' THR . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' TRP . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.713 ' HB3' HD13 ' A' ' 66' ' ' LEU . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 60' ' ' ASP . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 65' ' ' SER . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 37' ' ' ALA . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.717 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.717 HG23 ' HB2' ' A' ' 85' ' ' ALA . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 137.75 36.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -101.88 49.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.82 -170.58 39.18 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 -44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -63.65 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 -179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.825 0.345 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 101' ' ' LEU . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.442 ' CE2' HG23 ' A' ' 57' ' ' THR . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 35' ' ' ALA . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.615 ' HB2' HG12 ' A' ' 49' ' ' VAL . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 29' ' ' GLU . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.905 0.383 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 41' ' ' CYS . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.496 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 26' ' ' LEU . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 49' ' ' VAL . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.64 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 47' ' ' ALA . 67.4 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.92 0.39 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.634 ' HB3' HD12 ' A' ' 58' ' ' LEU . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 51' ' ' TRP . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.448 ' HB2' HG12 ' A' ' 49' ' ' VAL . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.902 0.382 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' OE1' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.496 HD23 ' OE1' ' A' ' 29' ' ' GLU . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 53' ' ' LYS . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.435 ' H ' HD23 ' A' ' 89' ' ' LEU . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.923 0.392 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.733 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.4 ' HB3' HD12 ' A' ' 58' ' ' LEU . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 51' ' ' TRP . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' HD13 ' A' ' 66' ' ' LEU . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 60' ' ' ASP . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.733 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 85' ' ' ALA . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.958 0.408 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 58' ' ' LEU . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 57' ' ' THR . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.635 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 51' ' ' TRP . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.404 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.904 0.383 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 41' ' ' CYS . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 26' ' ' LEU . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.809 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' HG23 ' A' ' 57' ' ' THR . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HB2' HD21 ' A' ' 58' ' ' LEU . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 51' ' ' TRP . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 66' ' ' LEU . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 75' ' ' LEU . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 66' ' ' LEU . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 84' ' ' ASP . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.692 ' HB2' HD23 ' A' ' 80' ' ' LEU . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.663 ' HB2' HG12 ' A' ' 49' ' ' VAL . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.913 0.387 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 73' ' ' CYS . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 58' ' ' LEU . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 53' ' ' LYS . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.561 ' HB3' HD22 ' A' ' 66' ' ' LEU . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 60' ' ' ASP . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 49' ' ' VAL . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 85' ' ' ALA . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.878 0.37 . . . . 0.0 111.091 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.6 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 53' ' ' LYS . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 85' ' ' ALA . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.851 0.358 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB3' HD12 ' A' ' 101' ' ' LEU . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 58' ' ' LEU . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.415 ' CE2' HG23 ' A' ' 57' ' ' THR . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 51' ' ' TRP . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.493 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 29' ' ' GLU . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 85' ' ' ALA . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.924 0.392 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 41' ' ' CYS . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' LEU . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HB3' HD23 ' A' ' 26' ' ' LEU . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 58' ' ' LEU . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 51' ' ' TRP . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.658 ' CB ' HD13 ' A' ' 66' ' ' LEU . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.543 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.466 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 29' ' ' GLU . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.897 0.38 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 92' ' ' CYS . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.602 ' CE2' HG23 ' A' ' 57' ' ' THR . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.602 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 53' ' ' LYS . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.721 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.721 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.433 ' H ' HD23 ' A' ' 89' ' ' LEU . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.564 ' HB2' HG12 ' A' ' 49' ' ' VAL . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.889 0.376 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 97' ' ' THR . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 66' ' ' LEU . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 60' ' ' ASP . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.437 ' H ' HD23 ' A' ' 89' ' ' LEU . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.52 ' HB2' HG12 ' A' ' 49' ' ' VAL . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.619 HG23 HD12 ' A' ' 26' ' ' LEU . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.895 0.379 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.461 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB2' HD21 ' A' ' 58' ' ' LEU . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 53' ' ' LYS . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 35' ' ' ALA . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 85' ' ' ALA . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.876 0.369 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 92' ' ' CYS . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.656 ' CE2' HG23 ' A' ' 57' ' ' THR . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.656 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.714 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.551 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 85' ' ' ALA . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.654 ' CE2' HG23 ' A' ' 57' ' ' THR . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.654 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.717 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.598 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.894 0.378 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB3' HD12 ' A' ' 58' ' ' LEU . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.443 ' CE2' HG23 ' A' ' 57' ' ' THR . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' HD21 ' A' ' 58' ' ' LEU . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' HB3' ' A' ' 51' ' ' TRP . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD13 ' A' ' 66' ' ' LEU . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 60' ' ' ASP . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.524 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 29' ' ' GLU . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.911 0.386 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.4 HD12 HG23 ' A' ' 97' ' ' THR . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 101' ' ' LEU . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.698 ' CB ' HD13 ' A' ' 66' ' ' LEU . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.435 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.4 HG23 HD12 ' A' ' 26' ' ' LEU . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 85' ' ' ALA . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 39' ' ' LEU . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.405 ' HB3' HD12 ' A' ' 58' ' ' LEU . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.56 ' CE2' HG23 ' A' ' 57' ' ' THR . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.517 ' CB ' HD21 ' A' ' 58' ' ' LEU . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 53' ' ' LYS . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.587 ' HG ' HD13 ' A' ' 75' ' ' LEU . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HG ' ' A' ' 66' ' ' LEU . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.586 HD11 ' CB ' ' A' ' 37' ' ' ALA . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.577 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . 0.684 ' HB2' HG12 ' A' ' 49' ' ' VAL . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 85' ' ' ALA . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.895 0.379 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 75' ' ' LEU . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.424 HD22 HD22 ' A' ' 26' ' ' LEU . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD11 ' CG1' ' A' ' 49' ' ' VAL . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.563 ' CG1' HD11 ' A' ' 43' ' ' LEU . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CD2' HD22 ' A' ' 75' ' ' LEU . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 57' ' ' THR . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' TRP . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.713 ' HB3' HD13 ' A' ' 66' ' ' LEU . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 60' ' ' ASP . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 65' ' ' SER . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 37' ' ' ALA . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.56 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.717 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.717 HG23 ' HB2' ' A' ' 85' ' ' ALA . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -138.78 84.06 1.99 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.826 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -153.78 92.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.67 111.33 3.35 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.436 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 p -80.82 112.66 18.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.888 0.375 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.8 m -91.98 -31.35 15.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.3 -52.08 0.85 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -55.68 112.03 1.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.357 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.0 p -114.11 138.97 49.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.186 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -172.18 98.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.57 42.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.3 ptm -144.46 115.58 7.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.817 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.75 139.87 58.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.969 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.21 111.32 23.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -95.02 164.78 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -124.52 53.57 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -133.98 172.22 13.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 62.97 160.67 0.12 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.554 0.692 . . . . 0.0 110.977 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 174.01 10.11 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.5 mt -120.39 132.19 70.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -120.5 -180.0 4.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.537 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 15.6 m-85 -100.07 131.71 45.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 47.2 p -97.7 -31.21 12.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.166 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.31 79.87 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.38 156.97 8.39 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.484 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 27.6 mt -52.72 153.95 2.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.765 0.317 . . . . 0.0 110.933 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -127.0 148.57 50.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -57.25 103.34 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.457 ' O ' HD12 ' A' ' 101' ' ' LEU . 45.0 tt0 -102.99 128.41 49.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -108.81 134.91 50.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.53 171.48 12.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 22.1 m -108.82 149.49 29.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 144.38 34.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.49 21.1 72.31 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.481 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -117.5 -171.31 2.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 111.103 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.5 m -117.56 116.56 27.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.172 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.28 140.69 37.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.1 124.91 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -98.9 159.15 15.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -147.01 145.32 29.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 8.5 p -150.99 146.34 26.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.07 137.4 47.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.537 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 7.9 mt -105.6 175.58 5.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 8.1 t -81.54 -26.64 34.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -157.96 147.28 19.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 38.5 ttp -53.35 128.66 29.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.906 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.12 160.43 5.38 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.614 0.721 . . . . 0.0 111.08 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.83 150.48 67.84 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.671 2.247 . . . . 0.0 112.348 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.615 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -138.29 166.71 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -138.05 121.05 16.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.6 m95 -86.81 121.53 29.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.442 ' CE2' HG23 ' A' ' 57' ' ' THR . 65.6 m95 -115.38 158.83 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.971 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -135.39 95.2 3.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.04 -76.67 1.04 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -150.19 30.78 0.69 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -147.07 161.89 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.442 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -99.99 145.19 28.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 -179.914 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 15.3 mt -97.11 165.16 12.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.5 mmt180 -128.76 166.07 19.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -105.43 129.11 53.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -156.25 -128.18 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -86.21 -71.84 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.765 0.317 . . . . 0.0 110.845 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.6 mtp85 -52.41 -40.11 61.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 70.7 m80 -103.32 118.99 38.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.1 m -112.06 110.52 20.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.0 mp -99.68 125.45 45.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -134.33 151.95 51.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -149.78 137.12 19.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -138.28 95.09 2.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 65.22 -107.67 2.0 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.36 27.26 9.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.136 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.7 mtp180 -132.56 99.39 4.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.843 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 33.3 m -95.8 160.67 14.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -162.09 153.53 18.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.4 tp -138.07 108.27 6.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -91.23 144.58 25.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.954 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.6 mt -136.68 110.84 9.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.81 148.38 22.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.08 57.33 4.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.525 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.481 HD12 ' C ' ' A' ' 35' ' ' ALA . 17.9 mt -62.45 172.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.887 0.375 . . . . 0.0 110.895 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.82 -76.69 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.96 -34.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.081 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.84 -33.45 75.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.59 -29.84 39.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.78 150.87 22.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 155.41 -146.11 13.66 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.524 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -114.55 104.52 12.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.832 0.349 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -87.85 117.81 26.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.13 164.82 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.8 t -155.88 94.78 1.58 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 10.1 mtm -91.47 126.36 36.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.615 ' HB2' HG12 ' A' ' 49' ' ' VAL . 46.1 t -120.61 96.61 5.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.5 -79.63 0.67 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -121.51 -54.97 1.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.16 171.39 2.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.6 ptt85 -159.7 159.08 32.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.3 t -144.75 163.58 33.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.28 146.3 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.45 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -133.94 179.03 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.16 106.92 9.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.457 HD12 ' O ' ' A' ' 29' ' ' GLU . 14.1 tp -90.89 128.97 36.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 53.0 m -113.13 139.33 48.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.3 t -120.0 113.2 39.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -79.09 174.45 11.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.8 144.77 31.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.122 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 7.1 mtp -58.36 160.6 9.21 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.527 0.68 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 122.93 9.59 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.715 2.277 . . . . 0.0 112.295 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.33 168.37 10.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 75.9 -168.98 54.84 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.543 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 112.48 3.09 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.704 2.269 . . . . 0.0 112.349 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 m -140.62 151.83 44.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.4 t -82.78 147.18 28.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 p -135.25 170.34 16.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.883 0.373 . . . . 0.0 110.825 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 m 60.73 178.67 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -59.27 110.75 2.89 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.461 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.41 139.19 33.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.876 0.37 . . . . 0.0 110.858 -179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 t 59.18 77.5 0.31 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.64 55.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 149.01 22.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.917 0.389 . . . . 0.0 110.842 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.8 m -140.88 -64.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.23 170.91 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -161.41 -64.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 36.9 mtt -90.14 115.58 27.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.55 40.82 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -66.79 111.88 3.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -88.48 -26.86 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.1 mtp180 60.97 -176.38 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 62.15 168.04 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.07 160.67 0.12 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.738 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -179.14 2.72 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.628 2.219 . . . . 0.0 112.35 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -125.66 136.43 60.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -128.02 164.15 22.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.65 126.39 31.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -87.1 -39.91 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -135.47 85.0 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.43 170.77 0.5 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD23 ' HB3' ' A' ' 41' ' ' CYS . 38.2 mt -66.43 162.77 19.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.802 0.335 . . . . 0.0 110.898 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -130.12 141.08 50.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.829 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -53.89 115.86 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -110.96 158.75 18.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -149.64 126.01 10.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.68 169.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -99.14 154.37 18.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -52.2 126.31 18.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.96 -19.84 52.61 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.486 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -70.7 -171.39 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 111.093 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.2 m -124.11 116.31 22.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.32 119.97 36.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -129.38 109.11 17.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.79 151.85 21.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -139.7 142.68 36.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' HB3' HD23 ' A' ' 26' ' ' LEU . 31.2 p -150.39 144.52 25.51 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -108.59 152.5 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.4 mt -122.72 170.54 9.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 32.9 t -82.05 -27.56 32.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -154.49 143.65 21.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -54.22 127.51 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.47 160.41 10.33 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.58 0.705 . . . . 0.0 111.084 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.74 131.81 22.04 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.674 2.249 . . . . 0.0 112.338 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.73 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.2 m -116.87 166.03 11.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -135.77 121.34 19.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -92.15 111.53 23.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.6 m95 -108.14 150.01 27.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.7 tttm -142.45 99.42 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.67 60.19 5.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 38.0 m80 52.78 32.89 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.761 0.315 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -140.64 152.28 45.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.2 135.59 41.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.3 mt -89.9 -175.35 4.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 33.4 mmt180 -147.89 161.27 41.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -96.25 126.04 41.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.03 -135.21 2.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.17 -64.6 1.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.837 0.351 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -45.42 85.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.0 m80 -99.36 120.12 39.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -112.28 114.3 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -107.31 119.24 38.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 6.6 ptt-85 -131.69 136.77 47.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -131.34 141.87 49.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -142.67 83.43 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 78.77 -109.35 2.83 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.497 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.89 27.36 9.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.6 mtp180 -133.28 109.77 9.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.898 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.4 m -103.06 158.43 16.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -157.43 128.81 6.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 26.4 tp -117.86 112.12 19.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -101.69 145.89 28.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.6 mt -138.47 102.28 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 37.1 mtt180 -88.54 135.05 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.51 47.7 2.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.496 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.3 mt -53.89 166.7 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.893 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.404 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.21 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.89 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -65.74 -29.22 69.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.82 -27.28 62.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.64 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -64.22 148.72 49.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.84 -131.74 3.34 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.479 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -125.02 112.87 17.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 110.892 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -92.38 155.19 18.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -132.85 166.74 21.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 24.4 t -160.71 94.09 1.03 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.9 mtm -97.19 132.09 43.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.73 ' HB2' HG12 ' A' ' 49' ' ' VAL . 49.9 t -131.52 94.4 3.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.0 -77.36 2.13 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.61 -54.93 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.732 0.301 . . . . 0.0 110.87 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -57.34 167.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 -164.79 145.1 7.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.892 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.5 t -143.22 130.32 20.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.4 p -114.49 143.53 44.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -129.44 165.19 22.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.08 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -113.14 121.3 44.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 tp -106.09 117.47 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.9 m -99.13 133.75 42.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.64 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 86.0 t -121.08 107.25 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 7.0 mtm-85 -71.09 178.82 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.21 146.91 32.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.7 mtt -55.37 160.59 3.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.576 0.703 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 143.66 51.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.1 t -90.53 -67.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.814 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -96.1 -172.18 35.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 151.12 69.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.701 2.267 . . . . 0.0 112.368 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -167.15 37.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.4 m -62.14 141.17 58.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.45 123.36 35.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.837 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -116.53 -29.73 6.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -111.92 96.94 0.89 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.97 -174.76 5.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.885 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 m -78.17 -179.43 6.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.8 -112.94 0.41 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.5 mtt180 61.52 41.77 12.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.839 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 76.8 p -130.89 143.65 50.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 t -177.86 100.05 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.7 142.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.91 146.91 39.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.93 114.33 26.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.98 127.28 19.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.2 t 65.19 151.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -122.78 128.6 50.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -172.24 170.75 5.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.14 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.657 0.741 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 157.04 61.66 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.707 2.272 . . . . 0.0 112.301 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.401 HD13 ' HB2' ' A' ' 47' ' ' ALA . 67.4 mt -110.64 135.7 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 -177.46 3.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.521 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 19.6 m-85 -106.36 124.43 49.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 37.5 p -89.46 -31.92 17.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -139.7 79.09 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.921 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.86 152.82 9.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.3 mt -52.59 156.24 1.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.78 0.324 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -128.33 144.4 51.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -56.7 116.65 3.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -106.91 148.81 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -136.77 122.82 20.28 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.03 164.98 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.145 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.16 153.06 21.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -52.77 128.79 27.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.0 -21.8 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.481 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.33 -173.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.893 0.378 . . . . 0.0 111.088 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.5 m -119.45 124.0 45.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -106.39 131.0 54.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.82 112.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.112 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 mt -104.71 111.27 23.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.78 159.6 36.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 15.1 p -149.06 -176.2 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.847 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -133.96 125.81 28.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.521 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 19.1 mt -99.05 155.94 17.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -32.27 73.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.65 150.99 31.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -55.35 133.69 49.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.823 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.05 160.38 2.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.564 0.697 . . . . 0.0 111.088 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.58 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 148.76 65.71 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.652 2.235 . . . . 0.0 112.388 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.448 HG12 ' HB2' ' A' ' 92' ' ' CYS . 26.8 m -135.69 167.6 24.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.153 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -141.31 119.31 11.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.634 ' HB3' HD12 ' A' ' 58' ' ' LEU . 91.5 m95 -85.32 108.13 17.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 78.3 m95 -106.26 142.09 36.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -142.54 94.06 2.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.39 56.49 4.65 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 67.5 m80 54.32 32.76 16.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.739 0.304 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -139.91 145.15 37.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.32 132.91 35.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.144 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.634 HD12 ' HB3' ' A' ' 51' ' ' TRP . 39.2 mt -90.46 142.99 27.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 30.6 mmm-85 -112.45 171.0 7.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -97.11 134.85 39.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -155.42 -166.85 16.14 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -65.02 -39.06 92.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.794 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 mtt-85 -78.54 -50.53 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -93.06 117.64 30.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.823 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.27 112.65 25.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.1 mp -104.97 119.04 38.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.8 mtt180 -125.08 154.24 41.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -149.03 125.0 10.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -129.36 83.18 2.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.85 -102.72 1.69 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.45 27.03 9.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -131.35 100.46 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.32 146.62 24.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -144.76 137.29 26.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.1 tp -127.1 109.35 11.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -99.28 147.02 25.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.8 mt -137.65 99.87 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.135 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 35.0 mtt180 -84.84 133.54 34.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.83 54.06 1.7 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.473 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.47 154.37 24.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.829 0.347 . . . . 0.0 110.968 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -148.19 -76.74 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.113 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.52 -26.73 68.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -29.27 65.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.03 144.19 40.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 154.8 -162.53 30.86 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.503 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -97.63 113.99 25.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.836 0.35 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -90.34 166.99 12.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.72 171.95 13.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 25.1 t -169.47 86.18 0.14 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.9 mtm -86.47 125.79 33.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.448 ' HB2' HG12 ' A' ' 49' ' ' VAL . 40.5 t -125.13 97.69 5.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 76.77 -74.87 1.74 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.0 -54.99 1.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.8 0.333 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -60.59 164.08 4.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.6 ptt180 -155.94 130.46 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -123.44 136.37 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.43 47.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.882 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.83 176.28 8.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.52 111.57 14.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.8 tp -93.61 137.76 32.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 16.2 m -122.2 136.68 54.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.48 109.93 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -75.77 -173.98 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.56 149.51 27.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.1 mtp -55.06 160.62 3.0 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.558 0.694 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -176.25 1.43 Allowed 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.73 2.286 . . . . 0.0 112.328 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -132.48 112.57 12.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 80.81 173.79 47.65 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 98.79 0.71 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.672 2.248 . . . . 0.0 112.345 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.0 t -138.27 125.5 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.39 -41.86 88.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.809 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.456 -179.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.59 167.02 10.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.839 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -132.39 -60.5 0.89 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.36 -99.12 1.69 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.522 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.17 103.01 0.97 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.817 0.342 . . . . 0.0 110.879 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.18 88.44 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.3 58.71 3.86 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -106.43 141.92 36.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.921 0.391 . . . . 0.0 110.852 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.2 m -121.74 -65.15 1.15 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.3 t 60.13 -172.19 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.83 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -107.89 126.38 52.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.142 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.25 156.08 45.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.3 mp -123.89 67.14 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.97 158.74 44.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.39 138.32 50.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -145.22 164.97 29.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 83.93 2.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.118 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -77.11 159.24 78.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.601 0.715 . . . . 0.0 110.903 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 149.72 67.4 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.701 2.267 . . . . 0.0 112.342 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.5 mt -108.06 128.59 63.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -115.65 -174.41 2.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.1 m-85 -110.54 107.32 16.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.3 p -65.13 -27.82 69.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -155.14 74.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.94 173.1 5.05 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.61 152.6 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 ptt-85 -131.6 171.68 13.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -67.24 105.58 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' OE1' HD23 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -102.14 166.8 10.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -146.48 130.12 16.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -133.96 166.8 21.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 23.8 m -107.04 150.03 26.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.4 138.33 51.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.3 20.11 79.82 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.458 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -113.76 -173.93 2.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.2 m -117.29 108.55 15.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.131 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.65 135.79 38.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.77 122.58 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.496 HD23 ' OE1' ' A' ' 29' ' ' GLU . 6.3 mt -93.5 153.58 18.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -136.0 143.12 44.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.6 p -164.91 133.56 3.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -108.64 165.7 11.35 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.502 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 11.4 mt -126.0 171.22 10.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -78.83 -29.05 44.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -154.52 147.11 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 40.4 ttm -52.92 126.63 21.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -168.02 160.47 9.49 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.58 0.705 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.81 147.42 62.53 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.672 2.248 . . . . 0.0 112.338 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -139.13 165.16 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -141.18 128.99 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 77.0 m95 -88.64 117.72 27.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -114.62 136.32 53.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.485 ' HB2' HD21 ' A' ' 58' ' ' LEU . 17.3 tttm -116.44 94.08 4.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.92 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 75.4 -88.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.491 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -138.75 34.02 2.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -153.06 148.69 27.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.53 142.93 27.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.153 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD21 ' HB2' ' A' ' 53' ' ' LYS . 37.4 mt -96.84 152.94 18.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 47.0 mmt-85 -114.96 173.07 6.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -109.97 127.51 54.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -157.13 -136.32 2.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.443 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.66 -62.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.806 0.336 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 -54.45 -31.14 54.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -125.16 121.8 35.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.91 116.67 32.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.826 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.8 mp -108.01 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -127.65 146.22 50.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -139.92 140.45 36.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -133.24 86.24 2.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.94 -93.97 0.51 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.451 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.6 -26.03 10.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.308 . . . . 0.0 111.095 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -84.99 123.4 30.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 37.7 m -111.51 162.17 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -153.14 142.31 21.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.3 tp -134.23 109.63 8.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.899 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -100.94 148.79 24.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.0 mt -138.72 107.33 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.127 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 131.87 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.18 49.98 1.97 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.476 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 33.0 mt -56.33 165.42 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.82 0.343 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.22 -76.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.95 -34.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -64.14 -34.59 78.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.48 -33.39 69.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.488 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -58.84 132.02 52.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.94 -143.56 7.77 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.493 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -116.79 109.69 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.2 m-85 -88.47 162.32 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.435 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.2 OUTLIER -142.66 170.78 15.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.946 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.435 ' H ' HD23 ' A' ' 89' ' ' LEU . 7.1 t -166.38 91.93 0.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 9.7 mtm -88.85 133.69 34.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 49.8 t -127.21 92.22 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.73 -76.72 0.98 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.472 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -122.59 -50.14 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.771 0.32 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.01 167.94 18.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -160.45 145.21 14.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.7 t -129.33 135.66 49.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -127.33 145.19 50.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.8 173.59 11.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -122.68 111.18 16.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 10.0 tp -87.88 138.56 31.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 87.5 m -114.72 143.07 45.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 85' ' ' ALA . 63.2 t -130.2 110.16 18.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 9.7 mtp85 -82.16 174.7 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.74 150.51 25.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.8 mtm -55.1 160.61 3.05 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.583 0.706 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 157.01 61.82 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.664 2.243 . . . . 0.0 112.367 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 t -69.22 -37.28 77.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -160.59 -177.27 33.54 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.495 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 105.79 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.34 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -96.32 30.97 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.819 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 83.2 p -111.95 -38.05 4.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 117.34 8.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 110.857 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 p -152.93 125.33 8.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.08 155.24 16.17 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t 59.39 66.85 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 0.0 110.825 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 p -77.84 158.59 29.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.38 151.18 4.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.5 ttt180 -141.05 43.43 1.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 110.869 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.1 m 61.73 81.39 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.15 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.5 m -79.82 -57.76 3.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -86.2 115.44 23.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.09 38.38 2.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.12 44.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 136.18 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.1 m -59.7 172.56 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 58.5 91.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.847 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.79 -169.86 1.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.66 158.68 31.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.606 0.717 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 166.25 28.21 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.387 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -116.66 133.71 62.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 pttm -119.56 -170.89 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -111.18 111.36 22.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.6 p -72.03 -30.29 65.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -147.45 82.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.77 167.99 2.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 19.5 mt -60.38 153.45 22.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.2 148.51 45.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.4 m-20 -61.87 102.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -103.66 143.2 33.08 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.06 137.33 54.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.47 168.61 16.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.137 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.4 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 28.6 m -105.91 146.98 29.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.146 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.47 138.8 39.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 19.9 79.71 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.06 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.378 . . . . 0.0 111.104 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -119.31 112.04 18.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.27 137.85 36.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.066 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -145.62 124.24 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.101 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.95 146.88 26.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.53 147.8 52.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.43 ' HB3' HD23 ' A' ' 26' ' ' LEU . 30.8 p -153.27 152.9 31.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -117.72 146.44 43.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.6 mt -115.46 168.18 10.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.942 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -28.12 58.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -157.08 161.39 39.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.7 ttm -64.99 127.91 33.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.28 160.42 7.63 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.538 0.685 . . . . 0.0 111.094 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.9 Cg_endo -69.73 131.24 20.86 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.659 2.239 . . . . 0.0 112.39 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.733 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.5 m -116.49 164.21 13.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.2 mp0 -139.67 124.15 18.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.4 ' HB3' HD12 ' A' ' 58' ' ' LEU . 80.1 m95 -93.23 127.46 38.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.4 m95 -122.65 145.35 48.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.927 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -138.5 94.65 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 69.59 60.94 4.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.46 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 48.5 m-70 53.58 34.89 19.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.778 0.323 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -141.62 139.65 33.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.88 142.75 27.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 51' ' ' TRP . 18.9 mt -101.92 160.38 14.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.962 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -126.25 167.19 15.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HA ' HD13 ' A' ' 66' ' ' LEU . 11.9 p-10 -98.49 120.29 38.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -150.36 -142.65 3.59 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.86 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.809 0.337 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.3 mtp180 -52.28 -36.26 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -115.24 125.29 53.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -108.22 108.7 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.851 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD13 ' HA ' ' A' ' 60' ' ' ASP . 5.5 mp -99.79 112.57 24.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -118.97 146.0 45.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.855 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -141.04 126.57 18.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -119.91 85.33 2.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.03 -91.33 0.36 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.476 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -109.53 -31.86 7.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -81.05 126.33 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.5 m -107.91 156.36 19.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -146.89 130.0 16.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 25.2 tp -123.42 109.01 13.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -98.1 145.55 26.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.963 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -135.73 111.01 11.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtp85 -94.56 149.41 21.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.74 58.1 4.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.3 mt -62.29 174.7 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.9 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.95 -76.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.059 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -69.09 -28.21 66.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -61.66 -31.7 71.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.781 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -66.42 137.11 56.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.88 -134.01 3.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -121.03 107.84 13.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -87.45 166.73 14.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -140.12 172.73 12.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.924 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 48.4 t -168.67 82.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -86.95 137.12 32.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.733 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.7 t -131.63 93.22 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.61 -82.17 0.95 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.503 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.6 ttpm? -119.58 -50.11 2.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.721 0.296 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.25 149.61 49.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.3 ptt180 -145.98 149.85 34.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.842 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.2 t -140.07 167.84 21.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.3 148.12 27.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.569 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -133.58 176.55 8.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.106 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -123.18 109.66 14.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.844 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.6 tp -94.44 109.96 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 25.6 m -92.96 133.89 35.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.781 HG23 ' HB2' ' A' ' 85' ' ' ALA . 88.1 t -119.75 110.51 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.11 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -75.77 -175.79 3.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.12 153.06 22.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -53.02 160.59 1.47 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.582 0.706 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 135.35 30.31 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.406 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.66 175.49 13.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 106.04 170.18 23.25 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 87.47 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.389 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 m -82.07 89.84 6.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.0 p -132.26 116.79 17.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.54 -46.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.887 0.375 . . . . 0.0 110.877 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.93 153.36 43.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.43 -158.88 5.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.94 -38.71 5.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.898 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 55.47 -172.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.65 62.48 1.14 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.454 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 117.2 5.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 110.844 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.17 166.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.4 t -136.8 143.4 43.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -113.6 177.65 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.078 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 3.1 tpp -60.73 164.85 4.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.21 84.64 2.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.79 98.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.138 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.5 -70.88 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -127.24 176.36 7.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.34 159.14 4.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -161.92 154.84 17.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.73 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 156.77 62.58 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.698 2.265 . . . . 0.0 112.367 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt -107.95 128.72 63.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.102 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -131.54 -176.5 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.55 122.27 43.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 65.8 p -87.88 -37.3 16.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -139.31 73.58 1.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.59 163.99 1.79 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 13.1 mt -52.33 162.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.813 0.34 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.5 ptt-85 -137.21 155.01 50.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -52.38 109.73 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 149.79 28.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -131.24 139.03 49.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -136.88 171.33 14.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.053 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 31.1 m -113.91 148.26 37.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.8 138.92 47.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.63 20.28 79.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.3 -170.3 1.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.7 m -121.16 108.97 14.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.152 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.01 137.59 35.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.101 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.1 p -147.0 123.78 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -93.49 157.35 16.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 -144.15 136.75 26.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.1 p -147.24 153.67 40.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.1 tt0 -113.13 147.53 37.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.25 174.42 6.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -85.7 -32.25 22.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.42 148.46 25.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 64.6 ttp -53.13 129.55 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.54 160.41 4.98 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.511 0.672 . . . . 0.0 111.1 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.7 Cg_endo -69.73 141.75 46.2 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.9 m -126.34 164.91 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.114 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -138.65 119.07 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.561 ' HB3' HD12 ' A' ' 58' ' ' LEU . 77.5 m95 -89.23 115.41 26.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 57' ' ' THR . 48.4 m95 -114.1 143.44 44.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 tttm -138.15 96.02 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 70.52 58.7 5.74 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.46 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 56.18 28.05 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -132.07 137.58 47.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.635 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.14 137.82 32.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.142 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 51' ' ' TRP . 17.8 mt -100.34 150.11 22.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.98 174.77 9.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -85.34 125.18 32.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -142.86 178.64 21.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.518 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -62.39 -27.38 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 0.0 110.854 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -89.69 -50.83 5.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -91.37 121.25 32.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -109.36 109.53 20.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.0 mp -96.66 117.67 31.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 -120.75 136.71 54.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -135.22 119.2 17.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -114.45 86.65 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.72 -93.19 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -33.93 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.799 0.333 . . . . 0.0 111.088 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 66.2 mtm180 -76.54 128.28 34.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.4 m -113.15 151.48 30.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.898 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -147.87 128.73 14.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.7 tp -118.04 106.87 13.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -91.59 144.58 25.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.4 mt -137.14 100.76 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -87.02 153.17 21.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 70.46 54.82 9.65 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.462 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.6 mt -59.19 178.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.34 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.07 -76.68 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.148 179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.98 -34.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.85 -29.98 70.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -59.35 -27.84 66.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.68 128.05 34.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.093 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.41 -135.91 3.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -123.02 110.89 15.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.838 0.352 . . . . 0.0 110.864 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -86.93 166.31 15.22 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.06 169.51 17.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.3 t -161.35 84.78 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 8.4 mtm -85.26 120.43 26.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.404 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.2 t -122.35 104.01 9.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.09 -84.63 0.31 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.468 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -122.5 -42.65 2.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -71.4 173.03 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 -166.99 144.45 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.3 t -135.31 151.1 50.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.81 152.77 50.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.86 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.534 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -140.54 166.06 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.115 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -110.25 111.46 22.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.27 136.12 34.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 60.6 m -117.55 139.01 51.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 82.5 t -125.92 106.88 16.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -73.27 172.3 11.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -97.69 150.37 21.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.45 160.61 1.78 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.577 0.703 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 104.16 1.28 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.703 2.269 . . . . 0.0 112.334 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -62.33 -30.2 71.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 178.25 177.18 46.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.538 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 128.55 16.18 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.719 2.28 . . . . 0.0 112.331 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.14 118.28 12.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -86.33 140.2 30.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.866 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -109.3 58.04 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.897 0.38 . . . . 0.0 110.896 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -92.0 166.03 12.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.27 34.83 0.71 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.488 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -97.1 -52.32 3.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 57.04 66.41 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.841 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.71 -65.58 2.27 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.487 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -141.24 -69.12 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.2 m -134.16 104.82 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.185 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.1 t -167.7 75.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.02 175.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.5 tmm? -166.22 138.54 3.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 19.5 mt -107.13 127.31 53.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.91 119.52 17.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.167 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -83.23 142.76 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.146 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.9 mmt180 -86.11 -63.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.19 147.45 51.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.406 HD23 ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -97.24 160.63 28.48 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.62 0.724 . . . . 0.0 110.881 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD2' HD23 ' A' ' 18' ' ' LEU . 53.9 Cg_endo -69.74 164.8 33.18 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.365 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.2 mt -119.86 141.43 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -137.08 -175.78 4.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 11.8 m-85 -106.58 119.53 39.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.6 p -81.28 -30.51 34.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -154.41 82.32 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.14 173.51 2.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.479 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD23 ' HB3' ' A' ' 41' ' ' CYS . 23.2 mt -57.71 156.44 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.819 0.342 . . . . 0.0 110.942 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.5 ptt-85 -128.25 156.44 42.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -53.43 117.91 3.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -118.77 145.63 45.43 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -137.62 131.31 31.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.11 170.48 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.103 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.0 m -105.95 151.1 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.17 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -53.77 131.87 40.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.71 -19.76 49.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.596 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -80.99 -177.76 6.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 111.098 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 59.6 m -117.61 123.61 46.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.133 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.563 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -98.09 140.43 32.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.2 t -140.47 118.03 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.0 mt -101.85 121.75 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -123.15 137.09 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.427 ' HB3' HD23 ' A' ' 26' ' ' LEU . 28.6 p -132.51 177.84 7.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.3 tt0 -133.65 147.84 51.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.508 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 15.1 mt -120.41 -179.73 4.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -92.47 -29.35 16.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.839 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.11 148.31 28.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.5 ttp -57.81 117.63 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -158.75 160.44 29.28 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.565 0.698 . . . . 0.0 111.083 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 137.74 36.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.644 2.229 . . . . 0.0 112.319 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.663 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.5 m -120.61 171.92 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.16 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -144.06 123.03 12.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.809 ' HB3' HD12 ' A' ' 58' ' ' LEU . 83.3 m95 -88.72 133.98 34.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.497 ' CE2' HG23 ' A' ' 57' ' ' THR . 82.3 m95 -130.29 144.28 51.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HB2' HD21 ' A' ' 58' ' ' LEU . 57.9 tttm -130.24 95.69 3.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 72.16 -81.29 0.58 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.478 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -145.15 32.08 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -148.71 150.68 33.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.0 OUTLIER -91.49 131.05 37.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.809 HD12 ' HB3' ' A' ' 51' ' ' TRP . 41.4 mt -77.07 130.52 37.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.34 170.33 8.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' HA ' HD13 ' A' ' 66' ' ' LEU . 1.9 p30 -107.13 129.51 54.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.03 -139.36 2.65 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.494 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -83.69 -60.05 2.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -52.83 -40.44 63.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -116.02 135.47 53.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.604 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.9 OUTLIER -118.26 126.23 51.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' HG ' HD13 ' A' ' 75' ' ' LEU . 7.1 mp -115.03 122.58 46.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 71.2 mtt180 -132.74 136.72 46.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -131.33 128.3 39.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -120.77 83.63 2.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.858 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.19 -92.7 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.5 -30.54 7.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.812 0.339 . . . . 0.0 111.077 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -81.0 121.41 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.89 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 35.0 m -102.56 161.36 13.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -153.79 141.83 20.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.647 HD13 ' HG ' ' A' ' 66' ' ' LEU . 25.5 tp -139.61 110.14 6.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -91.41 144.93 25.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.1 mt -130.23 121.88 52.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -109.47 128.0 54.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.1 40.45 1.27 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.692 HD23 ' HB2' ' A' ' 84' ' ' ASP . 17.8 mt -67.9 102.32 1.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.817 0.341 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.498 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 19.7 m -123.23 -40.13 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.498 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 173.66 -29.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -74.54 -37.2 63.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.692 ' HB2' HD23 ' A' ' 80' ' ' LEU . 94.8 m-20 -57.18 -30.52 64.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.811 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -68.35 132.99 48.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.23 -160.64 34.0 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.531 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -107.57 119.61 39.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.86 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -97.91 166.09 11.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.16 166.08 25.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.934 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.58 89.18 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.6 mtm -90.05 130.44 36.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.663 ' HB2' HG12 ' A' ' 49' ' ' VAL . 50.8 t -130.39 93.77 3.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.66 -82.08 1.21 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -122.11 -53.31 1.94 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.752 0.31 . . . . 0.0 110.924 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -68.41 165.02 19.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt85 -163.97 159.96 21.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.4 t -145.3 160.36 41.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.99 142.49 27.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.95 160.38 37.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.125 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -105.47 131.66 52.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.0 tp -108.78 125.86 52.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.0 m -105.2 142.5 34.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 64.8 t -127.23 103.89 11.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.8 mmm-85 -67.11 -173.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.0 52.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 18.4 mtm -53.5 160.6 1.82 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.602 0.715 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.666 2.244 . . . . 0.0 112.326 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.05 99.64 8.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 100.59 172.27 29.34 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 94.05 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.686 2.257 . . . . 0.0 112.337 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.33 163.22 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 p -81.83 121.98 27.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.85 30.95 19.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.91 0.386 . . . . 0.0 110.896 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 p -122.54 162.51 21.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.832 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.48 116.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 p -114.08 57.68 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -105.56 150.07 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.68 113.92 0.46 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.47 179.13 9.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.919 0.39 . . . . 0.0 110.906 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.69 176.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 54.2 p -101.34 153.41 19.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.8 98.43 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 21.4 mtp 62.38 179.87 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tp -131.27 -174.03 3.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -76.4 148.52 37.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 37.4 t -122.06 122.35 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -141.63 -173.23 3.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 63.33 178.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.081 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.02 160.66 0.12 Allowed Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.663 0.744 . . . . 0.0 110.903 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -171.61 0.49 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.2 mt -137.69 145.0 29.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -131.57 -174.99 3.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -103.67 130.42 51.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -96.68 -35.96 10.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -139.21 85.77 2.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.43 166.51 8.87 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.3 mt -54.26 168.99 0.2 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -141.46 140.54 33.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.5 m-20 -53.16 121.74 8.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -117.06 167.16 11.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -149.79 124.49 9.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.08 171.51 11.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.064 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.7 m -106.66 155.63 19.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.136 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -57.29 131.34 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.86 -20.07 47.68 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -78.15 -171.54 2.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 0.0 111.048 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 90.6 m -126.03 124.32 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.07 144.33 27.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.078 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -141.29 113.78 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -105.34 120.95 42.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.936 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtm180 -119.44 151.79 37.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.0 p -146.48 151.08 36.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -108.47 143.05 37.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.6 mt -117.86 178.09 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.69 -34.51 34.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt -152.86 154.87 35.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.869 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 65.9 ttp -57.24 115.26 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.572 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -157.02 160.42 30.67 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.583 0.706 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.572 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 144.52 54.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.644 2.23 . . . . 0.0 112.31 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.426 HG21 ' SG ' ' A' ' 73' ' ' CYS . 17.5 m -129.26 171.75 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.138 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -146.71 119.72 8.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -92.52 133.1 36.26 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -128.13 153.07 47.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.461 ' HB2' HD21 ' A' ' 58' ' ' LEU . 6.8 tttm -140.01 98.43 3.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.29 56.04 11.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.5 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.3 m170 57.33 42.39 25.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.74 0.305 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -150.99 141.35 22.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.23 138.99 32.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.461 HD21 ' HB2' ' A' ' 53' ' ' LYS . 85.0 mt -89.72 169.62 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.909 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -126.01 169.93 12.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.561 ' HB3' HD22 ' A' ' 66' ' ' LEU . 2.3 p30 -125.87 136.17 52.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.93 174.25 20.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.28 -75.83 0.07 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.789 0.328 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -119.72 -33.33 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.8 m80 -91.01 164.27 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -145.02 103.44 3.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.843 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 60' ' ' ASP . 10.6 mp -93.93 123.75 37.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -130.32 141.22 50.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -137.58 139.47 40.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -138.16 92.04 2.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.52 -107.53 2.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.28 25.17 12.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.754 0.311 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.6 mtp85 -131.48 97.74 4.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.849 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.426 ' SG ' HG21 ' A' ' 49' ' ' VAL . 23.1 m -81.22 166.05 20.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 72.4 tt0 -160.34 135.86 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.8 tp -125.11 107.58 10.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -95.06 147.03 23.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.1 mt -139.19 104.16 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.57 131.02 39.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 97.72 54.82 1.19 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.01 165.19 4.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.818 0.342 . . . . 0.0 110.925 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -166.31 -76.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.833 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.94 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -65.14 -28.24 69.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.99 -28.54 62.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.879 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.475 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -61.85 144.52 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 157.33 -133.9 3.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -122.93 120.83 34.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.871 0.367 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -95.76 166.56 11.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.9 175.21 10.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.955 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.7 t -165.97 88.73 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 19.9 mtm -87.72 127.21 35.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 43.4 t -132.24 91.58 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.879 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.65 -70.52 3.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -134.74 -59.76 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.765 0.317 . . . . 0.0 110.919 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -62.11 172.66 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -166.28 129.76 2.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.02 131.19 56.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.14 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -115.71 154.96 28.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.911 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -137.38 177.29 7.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.101 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.54 113.28 15.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.3 tp -96.55 126.97 42.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 88.6 m -110.62 125.61 53.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.475 HG23 ' HB2' ' A' ' 85' ' ' ALA . 62.7 t -109.22 106.85 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -71.79 -173.13 0.93 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -110.54 145.82 37.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.7 160.62 76.25 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.562 0.696 . . . . 0.0 110.868 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.7 2.267 . . . . 0.0 112.342 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.8 m -74.25 -51.24 15.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -146.55 -165.88 11.87 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 130.04 18.62 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.25 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -122.38 173.41 7.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 11.3 m -140.28 127.11 20.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.473 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t 59.11 -177.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.877 0.37 . . . . 0.0 110.876 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.62 137.33 52.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.68 116.17 0.71 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 t -117.05 51.38 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.895 0.378 . . . . 0.0 110.877 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 p 62.78 167.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.68 -111.67 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.454 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -111.16 145.88 37.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.53 107.02 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.5 t -158.43 97.84 1.5 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.19 136.94 30.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.117 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 4.7 ptm -131.45 133.9 45.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.9 106.54 18.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.04 27.29 0.61 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.3 m -84.68 162.29 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.83 -43.8 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.842 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -160.55 93.82 1.03 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD23 ' HD2' ' A' ' 19' ' ' PRO . 0.3 OUTLIER -138.17 160.66 63.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.669 0.747 . . . . 0.0 110.895 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 18' ' ' LEU . 53.5 Cg_endo -69.77 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.2 mt -133.08 123.61 48.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -123.19 -174.54 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.418 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 10.9 m-85 -104.45 125.34 50.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.898 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 63.0 p -88.04 -32.78 18.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.185 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 87.85 1.99 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.96 173.56 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.521 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.6 ' CB ' ' HB2' ' A' ' 99' ' ' ALA . 11.6 mt -65.68 165.76 11.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 110.891 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 ptt-85 -134.3 145.07 48.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -54.77 115.34 2.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -105.71 159.82 15.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -147.0 132.03 18.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.7 164.44 28.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.099 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -96.67 148.57 22.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.42 130.92 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.67 48.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.413 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -77.51 -172.01 2.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 0.0 111.146 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.1 m -119.4 113.59 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.03 137.26 36.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.7 p -148.96 124.49 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.146 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.02 159.27 15.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -146.57 141.1 26.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 28.9 p -146.99 156.2 42.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -108.9 152.62 24.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 14.1 mt -125.43 167.93 14.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.19 -30.86 38.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -157.33 157.87 34.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.17 125.9 25.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.876 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -167.49 160.38 10.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.587 0.708 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 144.73 54.82 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.63 2.22 . . . . 0.0 112.333 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.575 HG12 ' HB2' ' A' ' 92' ' ' CYS . 31.8 m -137.95 156.03 30.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.079 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -124.5 129.92 51.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -93.0 109.25 20.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -105.39 142.76 34.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.544 ' HB2' HD11 ' A' ' 58' ' ' LEU . 25.3 tttm -142.03 96.92 3.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.49 53.29 10.32 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 58.31 39.83 25.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -150.27 137.56 19.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.34 139.18 34.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 53' ' ' LYS . 49.7 mt -102.52 165.97 10.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.52 -179.15 6.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -110.83 166.93 10.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 149.7 76.52 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.27 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.836 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 mtp85 -52.97 -57.24 10.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -94.48 122.2 36.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.828 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -103.14 105.16 15.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.0 mp -103.86 121.26 42.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.955 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.6 mtp85 -134.53 146.14 49.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -138.47 121.78 17.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -114.1 84.28 2.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.29 -89.85 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -115.78 -27.51 7.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.822 0.344 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -76.72 112.52 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -105.5 157.31 17.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -160.62 148.43 16.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.6 tp -131.5 107.53 8.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -95.95 145.64 25.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.7 mt -130.0 106.87 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.96 133.42 33.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.55 56.88 1.93 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' ' 35' ' ' ALA . 22.6 mt -57.72 167.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.865 0.364 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -76.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.96 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -67.4 -28.88 68.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -59.02 -33.86 71.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.545 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -57.94 138.9 55.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.76 -146.2 11.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.518 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -116.23 107.84 15.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.824 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -85.22 157.54 20.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.937 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.99 171.24 14.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.904 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.6 t -162.93 87.52 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.3 mtm -91.48 122.43 34.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.575 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.8 t -122.77 95.48 4.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 77.82 -81.01 1.29 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.01 -46.13 1.84 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 110.882 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -68.96 169.09 12.36 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 21.6 ptt180 -166.2 142.32 4.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.5 t -135.87 140.41 44.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.7 161.56 19.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.6 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -143.4 -179.99 6.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.13 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -131.58 119.07 20.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.8 tp -104.14 131.62 51.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.2 m -115.58 127.94 55.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.545 HG23 ' HB2' ' A' ' 85' ' ' ALA . 44.1 t -111.7 104.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.101 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 75.7 mtm180 -74.11 175.61 7.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -100.01 152.7 19.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.114 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -55.71 160.59 3.97 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.538 0.685 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 82.62 0.74 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.321 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.36 99.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 111.26 -175.08 17.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.527 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 160.55 49.27 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.713 2.275 . . . . 0.0 112.322 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.6 m -124.25 152.96 42.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.95 173.93 0.13 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p -153.3 159.09 42.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.872 0.367 . . . . 0.0 110.867 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 t -147.54 45.78 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.39 -125.13 8.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.38 115.28 6.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.845 0.355 . . . . 0.0 110.871 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -170.13 116.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.813 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 25.63 4.25 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.465 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -56.23 135.65 53.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.833 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.96 -32.28 73.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 m 60.0 55.03 3.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.03 76.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.136 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 10.5 tpt -89.86 -33.72 16.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -156.68 139.71 15.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.04 155.91 17.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.143 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -109.98 70.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.88 150.16 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 60.42 -178.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.126 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.16 160.68 0.12 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.586 0.707 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -177.83 2.05 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.715 2.277 . . . . 0.0 112.337 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 79.7 mt -128.9 124.88 61.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -123.76 -171.54 2.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.31 126.41 52.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.1 p -84.45 -42.06 15.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -141.7 81.95 1.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.65 165.95 1.34 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.425 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 15.1 mt -54.02 161.38 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.03 150.77 51.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.908 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -55.34 103.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.437 ' HB3' HD12 ' A' ' 101' ' ' LEU . 3.4 tp10 -101.51 166.31 10.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -149.53 121.13 8.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -116.74 170.4 8.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.467 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 24.9 m -106.76 147.73 29.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.88 145.66 29.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.923 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 66.78 20.03 69.97 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.86 -170.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.881 0.372 . . . . 0.0 111.095 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.4 m -117.64 111.71 19.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -97.09 133.76 41.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.159 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.11 124.37 13.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.117 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 mt -99.89 157.11 16.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.8 mtt-85 -150.22 141.32 23.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.5 p -147.04 162.8 38.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.77 148.95 35.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.4 mt -121.59 163.31 19.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 95.5 p -80.46 -29.49 37.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -154.67 147.33 24.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ttm -56.67 134.15 54.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -174.51 160.36 2.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.605 0.717 . . . . 0.0 111.124 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.74 128.65 16.35 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.686 2.257 . . . . 0.0 112.371 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.493 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.3 m -119.04 156.61 21.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.12 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -131.77 130.93 42.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.441 ' HB3' HD12 ' A' ' 58' ' ' LEU . 71.0 m95 -96.05 115.14 26.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.415 ' CE2' HG23 ' A' ' 57' ' ' THR . 46.5 m95 -112.19 145.58 39.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -140.18 99.02 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 65.31 62.06 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.7 m-70 52.39 39.4 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.724 0.297 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -145.52 138.63 26.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.415 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -90.01 128.37 36.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.441 HD12 ' HB3' ' A' ' 51' ' ' TRP . 15.8 mt -88.03 161.83 17.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.02 168.66 19.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -100.95 165.42 11.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 151.45 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.493 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.838 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.68 -53.87 45.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -97.18 118.85 34.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.4 m -101.75 103.55 14.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.3 mp -100.48 125.8 46.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -134.67 155.51 50.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -147.97 131.25 16.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -124.7 82.9 2.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 69.45 -90.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.25 -34.65 6.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.812 0.339 . . . . 0.0 111.132 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -72.57 115.01 11.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.6 m -106.77 161.33 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.952 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.8 pm0 -162.38 158.18 23.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.4 tp -141.11 106.37 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -92.72 142.09 27.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.36 115.95 18.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.06 145.38 26.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.75 55.46 4.17 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 37' ' ' ALA . 14.3 mt -58.35 171.64 0.56 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.13 -76.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.97 -34.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -66.81 -29.85 69.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -57.45 -36.44 71.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.844 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.606 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -55.65 159.8 2.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 139.86 -150.21 21.31 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -107.91 115.27 29.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -93.32 157.2 16.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.54 170.41 14.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.2 t -164.0 84.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 5.8 mtm -86.1 126.42 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.493 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -123.72 97.72 5.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 73.54 -83.78 0.66 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.549 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.61 -44.44 2.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.728 0.299 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -73.39 165.53 24.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 132.76 7.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 15.3 t -125.69 137.44 53.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.07 158.93 29.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.627 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -143.31 178.76 7.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.2 116.2 24.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' A' ' 29' ' ' GLU . 13.1 tp -99.84 137.44 38.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.968 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 85.0 m -120.88 139.03 53.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.161 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.606 HG23 ' HB2' ' A' ' 85' ' ' ALA . 59.1 t -122.46 104.32 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.147 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.1 mtm180 -67.1 -174.94 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.36 145.09 39.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.07 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.2 mtp -52.62 160.57 1.34 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.551 0.691 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -8.12 22.79 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.273 . . . . 0.0 112.397 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.8 t 59.05 35.82 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.64 -171.84 2.09 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.5 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -27.6 26.18 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 m -107.58 99.6 9.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.28 147.56 23.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.492 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.3 m 54.38 55.51 8.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 m -108.87 160.19 16.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.85 148.83 26.22 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -101.55 87.76 3.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.862 0.363 . . . . 0.0 110.831 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.71 135.92 49.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.93 -174.47 22.65 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.8 mmt-85 -76.52 -47.88 21.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.88 0.371 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 60.95 92.78 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.0 167.86 22.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 164.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 5.6 mtt -143.87 80.77 1.67 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.28 131.44 35.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.935 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.5 p -56.19 158.26 4.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 74.9 t -136.12 138.28 47.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.089 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.28 48.52 0.9 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.15 -179.43 7.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.06 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.946 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 173.98 10.13 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.679 2.253 . . . . 0.0 112.394 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.3 mt -122.13 121.18 63.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.177 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.1 pttt -111.58 -174.27 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.496 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 3.7 m-85 -107.5 116.36 31.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.6 p -76.43 -38.21 55.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -144.59 76.43 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.05 168.98 0.87 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.498 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 HD23 ' HB3' ' A' ' 41' ' ' CYS . 31.8 mt -61.81 150.45 37.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 110.919 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mmt85 -122.86 176.02 6.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.825 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -76.57 102.62 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' LEU . 38.9 tp10 -103.75 139.25 39.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -122.05 135.32 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -129.99 171.89 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.431 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 26.7 m -111.65 149.34 31.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.108 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.47 142.88 37.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 70.45 20.04 76.65 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.524 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.71 -170.47 1.83 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.885 0.374 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 m -118.96 111.04 17.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -97.44 136.54 37.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.081 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -147.0 124.35 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.91 149.3 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -133.84 135.26 43.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' HB3' HD23 ' A' ' 26' ' ' LEU . 26.9 p -147.21 146.32 29.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -112.54 156.2 23.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 9.5 mt -122.47 168.83 11.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.65 -32.59 53.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -149.28 152.02 35.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.9 ttm -59.06 129.76 43.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -169.96 160.45 6.78 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.561 0.696 . . . . 0.0 111.101 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.5 Cg_endo -69.77 132.41 23.26 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.347 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.0 m -115.28 158.51 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -135.17 119.26 17.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.459 ' HB3' HD12 ' A' ' 58' ' ' LEU . 72.8 m95 -88.26 117.92 27.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 71.7 m95 -116.15 149.44 39.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -137.31 102.02 4.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.956 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.84 -106.44 1.76 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.521 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -120.1 45.61 2.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -171.7 160.7 5.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.84 157.59 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.136 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.459 HD12 ' HB3' ' A' ' 51' ' ' TRP . 26.2 mt -101.37 141.12 34.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 14.2 mtt180 -100.67 173.48 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.658 ' CB ' HD13 ' A' ' 66' ' ' LEU . 13.1 p-10 -116.32 139.11 50.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 178.72 25.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.23 -75.85 0.07 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.835 0.35 . . . . 0.0 110.889 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -132.57 7.2 4.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -127.0 152.08 47.72 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.63 106.07 7.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.834 -179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.7 mp -101.0 118.02 36.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.942 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -122.19 134.91 54.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.884 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -130.08 114.74 16.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -113.52 82.53 1.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 72.04 -90.38 0.5 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.496 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -111.98 -29.93 7.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.796 0.331 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -80.13 128.08 33.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.893 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 36.9 m -112.47 154.57 25.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.852 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -146.34 128.75 15.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.6 tp -124.82 109.63 13.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -99.8 146.36 26.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.77 108.01 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -93.73 144.23 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.04 48.91 4.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.518 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 35.6 mt -56.29 166.17 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.44 -76.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.087 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.22 -37.8 88.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.922 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.74 -31.43 66.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' HB2' ' CG2' ' A' ' 103' ' ' VAL . . . -62.37 133.17 54.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 169.19 -143.45 8.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.506 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -109.68 106.82 16.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.825 0.345 . . . . 0.0 110.903 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -85.7 156.95 20.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.946 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.52 173.29 11.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.933 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.466 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.8 t -168.76 88.33 0.2 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 36.5 mtm -88.55 131.47 34.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 47' ' ' ALA . 54.1 t -128.82 95.65 4.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.71 -83.9 0.79 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.56 -45.13 2.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.74 0.305 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.69 173.5 5.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.3 ptt180 -166.84 143.35 4.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.8 t -139.75 136.51 34.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -128.08 143.77 51.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -131.93 165.13 24.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.094 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -107.59 114.97 29.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 29' ' ' GLU . 25.9 tp -94.57 131.83 39.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.3 m -106.21 152.05 23.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.543 ' CG2' ' HB2' ' A' ' 85' ' ' ALA . 57.5 t -141.46 105.03 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -72.65 -176.63 2.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.82 147.53 27.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.128 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -52.52 160.58 1.31 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.6 0.714 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 146.53 60.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.704 2.269 . . . . 0.0 112.364 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -125.33 86.64 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -129.87 -169.39 12.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.505 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -46.92 1.03 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.662 2.241 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 58.86 -171.39 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.838 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.24 132.13 52.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.833 -179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.959 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -60.74 101.94 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.838 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.82 173.23 7.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.3 123.64 0.92 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 -58.0 0.21 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -74.87 96.33 3.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.54 -56.97 15.16 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.0 ttm180 -117.27 164.58 14.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.909 0.385 . . . . 0.0 110.876 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.5 m -98.48 100.09 11.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -158.18 125.29 4.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.21 172.61 0.79 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 13.0 mmt -106.02 174.43 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 72.2 mt -124.79 162.37 24.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.94 153.91 20.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.3 t -142.91 135.32 25.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 38.8 mmt180 -140.91 -64.99 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.88 -176.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 63.15 160.71 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.598 0.713 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -179.02 2.65 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.341 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.8 mt -126.46 130.12 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.5 mttt -118.88 -177.9 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 6.8 m-85 -98.31 131.36 44.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 55.4 p -92.98 -25.83 17.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -153.63 84.18 1.17 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.45 167.17 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.525 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.32 175.75 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.759 0.314 . . . . 0.0 110.948 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.49 147.28 28.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 29.7 m-20 -52.58 117.47 2.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -120.05 143.79 47.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 142.5 50.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -143.17 170.97 14.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.6 m -102.7 154.6 18.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.33 132.1 52.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.98 -21.1 43.68 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.503 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -77.28 -174.49 3.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.871 0.367 . . . . 0.0 111.098 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 18.4 m -120.34 110.79 16.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.47 42.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.067 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.74 123.92 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.141 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.74 159.35 14.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.3 mtt85 -146.08 146.78 31.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 7.7 p -147.58 153.02 38.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -113.05 146.31 39.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 5.9 mt -121.31 166.24 14.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -30.73 58.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.35 147.72 27.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.6 ttp -58.03 126.9 29.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.913 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -164.24 160.41 16.37 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.596 0.712 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 54.0 Cg_endo -69.73 136.02 32.01 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.729 2.286 . . . . 0.0 112.383 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.564 HG12 ' HB2' ' A' ' 92' ' ' CYS . 27.3 m -121.43 159.96 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.099 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -133.7 115.94 15.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 68.6 m95 -86.81 119.42 27.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.602 ' CE2' HG23 ' A' ' 57' ' ' THR . 44.2 m95 -114.17 164.34 14.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.6 ' HB2' HD21 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -139.94 95.24 2.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.897 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 71.19 -83.71 0.42 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -142.39 35.97 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.773 0.321 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -159.68 143.83 14.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.602 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -78.92 159.77 27.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.137 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.6 HD21 ' HB2' ' A' ' 53' ' ' LYS . 32.2 mt -106.33 158.4 16.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.0 mmt85 -114.32 166.94 11.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.721 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.7 p-10 -113.37 140.78 47.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.9 -179.09 27.43 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.525 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.32 -75.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 0.0 110.843 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.36 7.23 4.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -127.47 156.81 41.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -135.45 104.31 5.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.721 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.3 mp -95.9 115.57 27.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -120.13 153.12 36.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -151.76 120.07 6.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -126.91 100.25 6.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.23 -109.45 2.82 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -110.73 27.12 9.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.767 0.318 . . . . 0.0 111.132 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -128.9 102.58 6.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.1 m -99.6 159.17 15.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -161.45 158.97 27.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.2 tp -140.76 107.32 5.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.96 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -96.29 146.15 24.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.05 104.79 10.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.52 133.92 34.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 86.66 60.18 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.5 mt -59.58 163.26 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.945 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.93 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.109 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 180.0 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -65.32 -32.02 73.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -64.22 -30.42 71.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.5 140.85 55.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.078 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 159.32 -158.49 29.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -96.0 105.73 17.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.917 0.389 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -89.52 119.08 29.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -102.56 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.929 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.433 ' H ' HD23 ' A' ' 89' ' ' LEU . 33.8 t -165.25 89.54 0.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 28.8 mtm -91.35 133.96 35.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.564 ' HB2' HG12 ' A' ' 49' ' ' VAL . 45.0 t -133.12 99.29 4.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.7 -82.81 0.81 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.497 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.68 -53.21 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.714 0.292 . . . . 0.0 110.907 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.09 169.12 15.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.9 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -164.56 153.1 12.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.1 t -133.01 136.43 46.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 p -117.68 140.76 49.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.03 173.3 11.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.07 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.87 119.27 25.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.867 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.7 tp -98.02 123.55 42.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.7 m -101.85 138.0 39.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.153 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -124.18 104.28 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -69.94 -175.92 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -109.78 143.12 40.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -56.74 160.62 5.45 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 110.88 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -176.85 1.62 Allowed 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.708 2.272 . . . . 0.0 112.341 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 75.1 m -120.58 -70.82 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.896 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -107.58 171.57 16.58 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 170.95 15.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.5 m -78.76 178.8 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.88 177.54 9.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.55 -173.1 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 m -64.41 -177.64 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.85 -31.43 0.67 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.523 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.2 m -83.12 67.49 9.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.29 175.45 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.832 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.84 164.83 12.52 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.65 43.01 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.857 0.361 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.31 156.0 35.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.6 m 61.74 173.64 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.871 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -163.06 122.97 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.103 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.09 37.14 1.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -122.66 143.53 49.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 66.1 p -116.98 137.36 52.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.5 m -111.2 70.41 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.55 50.2 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -174.27 176.73 2.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.13 160.61 0.12 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.62 0.724 . . . . 0.0 110.893 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 178.77 4.19 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.344 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -128.43 128.04 67.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.49 177.26 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.434 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.6 m-85 -93.89 122.81 36.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 49.8 p -86.3 -33.4 20.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.73 85.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.81 155.49 8.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.457 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD12 HG23 ' A' ' 97' ' ' THR . 15.9 mt -53.98 162.07 1.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.779 0.323 . . . . 0.0 110.903 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -133.42 146.36 51.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -55.44 123.65 14.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -116.07 158.03 23.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -134.6 139.85 45.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -140.83 171.67 13.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.079 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.4 m -110.84 153.08 25.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -55.41 125.39 20.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.05 -22.53 33.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.451 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.32 -175.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 111.076 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.9 m -117.09 118.7 33.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 80' ' ' LEU . . . -102.29 138.53 39.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.0 p -149.7 123.8 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.128 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.58 158.63 15.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.92 143.51 32.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 10.0 p -147.79 150.92 35.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -112.58 149.62 32.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 6.6 mt -123.39 171.56 9.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t -77.72 -37.92 48.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.32 149.59 30.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.1 ttm -53.17 122.58 9.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -156.91 160.42 30.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.565 0.698 . . . . 0.0 111.131 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.78 126.32 13.15 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.341 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.52 HG12 ' HB2' ' A' ' 92' ' ' CYS . 34.3 m -112.69 161.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.79 123.15 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 84.8 m95 -90.13 131.25 36.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 66.5 m95 -130.06 128.26 41.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.94 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.0 ttmt -111.82 93.94 4.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 81.44 -85.76 1.41 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -143.82 29.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.735 0.303 . . . . 0.0 110.825 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -149.0 153.4 37.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.02 145.9 25.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.142 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 75.5 mt -92.18 141.54 28.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.5 mmm180 -101.13 169.96 8.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.696 ' HB3' HD13 ' A' ' 66' ' ' LEU . 9.1 p-10 -113.39 136.14 53.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.27 179.33 24.06 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.21 -75.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.775 0.321 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -133.23 7.38 3.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -127.3 153.98 45.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.59 107.73 7.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.696 HD13 ' HB3' ' A' ' 60' ' ' ASP . 8.0 mp -99.77 124.3 44.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.0 mtp180 -125.38 151.73 45.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -148.64 124.61 10.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -130.29 82.5 2.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.06 -91.71 0.62 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.49 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.41 -26.94 7.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.774 0.321 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -77.4 108.39 10.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.0 m -108.79 159.87 16.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -162.76 166.05 24.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.0 tp -146.17 109.46 4.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -91.37 144.41 25.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -136.53 105.79 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.69 146.95 24.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 77.42 54.62 4.6 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.428 HD11 ' HB2' ' A' ' 37' ' ' ALA . 13.1 mt -59.77 169.52 1.37 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.914 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.47 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.077 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -64.04 -30.62 71.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -63.49 -27.54 69.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.9 126.1 26.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.64 -156.56 24.27 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.9 tt0 -97.75 106.6 18.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.876 0.369 . . . . 0.0 110.875 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -86.52 122.3 30.26 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.437 HD23 ' H ' ' A' ' 90' ' ' CYS . 0.1 OUTLIER -104.87 165.12 11.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.437 ' H ' HD23 ' A' ' 89' ' ' LEU . 9.4 t -160.32 86.13 0.74 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 15.8 mtm -84.66 130.76 34.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.52 ' HB2' HG12 ' A' ' 49' ' ' VAL . 37.1 t -132.76 102.82 5.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 71.98 -89.73 0.49 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.502 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.37 -45.54 2.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.764 0.316 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -78.42 160.85 27.52 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt180 -154.42 164.97 37.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.619 HG23 HD12 ' A' ' 26' ' ' LEU . 7.1 t -142.93 163.23 33.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.4 p -141.5 137.97 32.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.822 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -127.83 169.47 13.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.074 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.43 109.48 12.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 tp -89.25 141.4 28.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 86.3 m -118.34 136.73 53.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.175 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 77.1 t -124.34 106.05 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 41.6 mtp85 -79.14 -179.54 6.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.18 153.83 21.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.34 160.56 6.78 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.595 0.712 . . . . 0.0 110.843 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 123.04 9.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 24.4 m -137.17 51.16 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -156.99 179.85 32.47 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 148.95 66.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.357 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 43.9 t -160.0 -43.74 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -96.3 143.93 26.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.847 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.523 -179.958 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p 60.49 -179.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.909 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.29 -66.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.25 142.9 19.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.528 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.6 m -137.33 144.02 42.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 0.0 110.835 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 p -128.61 166.95 17.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.71 -79.63 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -163.78 -170.9 2.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.8 138.83 38.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 p -55.04 150.9 9.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -108.2 85.65 2.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.043 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 13' ' ' LEU . 7.7 ptm -86.11 -32.21 21.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.57 HD12 ' HG2' ' A' ' 12' ' ' MET . 4.8 mp -69.02 168.49 13.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.81 135.21 43.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.0 t -65.24 126.91 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -142.84 156.95 45.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.77 84.29 2.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.45 160.65 9.32 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 159.47 53.3 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.686 2.257 . . . . 0.0 112.346 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 59.5 mt -118.6 136.38 55.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.17 -178.1 4.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 9.6 m-85 -103.21 136.39 43.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 2.0 t -109.94 -29.5 8.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -139.9 82.82 1.89 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.21 160.02 53.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.5 mt -52.25 158.39 1.17 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.81 165.09 25.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.0 117.08 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -116.91 150.46 38.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -139.6 121.97 16.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -123.02 169.42 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.7 m -101.3 151.67 21.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.169 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.79 129.05 35.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.17 -20.0 46.08 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.45 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.461 ' C ' HD12 ' A' ' 80' ' ' LEU . . . -73.73 -175.39 2.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 55.6 m -120.64 122.7 41.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.6 138.41 36.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.055 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.6 t -136.78 105.07 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mt -92.62 117.56 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 20.6 mtm180 -116.22 159.55 21.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 17.6 p -157.84 151.95 24.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -111.3 143.35 42.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.7 mt -116.75 150.46 38.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 t -64.57 -26.71 68.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 56.8 tttt -154.73 141.06 18.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ttm -53.12 132.14 37.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -171.98 160.38 4.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.586 0.707 . . . . 0.0 111.127 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.75 136.7 33.67 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.671 2.247 . . . . 0.0 112.318 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.6 m -128.14 163.92 31.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -137.96 126.38 23.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 64.7 m95 -91.56 116.6 29.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 52.7 m95 -113.88 153.71 28.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HB2' HD21 ' A' ' 58' ' ' LEU . 28.0 tttt -133.54 96.56 3.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.918 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.33 -79.74 1.47 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -150.13 27.75 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.735 0.302 . . . . 0.0 110.857 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -145.97 157.99 43.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.5 144.78 25.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.202 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 53' ' ' LYS . 25.8 mt -91.23 160.76 15.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -119.73 172.55 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -116.96 141.14 48.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.98 177.48 25.59 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.25 -75.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.355 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.6 mtm-85 -131.56 7.31 4.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 m80 -129.89 159.2 37.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.38 103.75 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mp -97.59 123.1 41.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.942 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -132.45 145.99 51.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.846 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -135.55 133.95 38.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.75 98.19 3.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.88 -104.63 0.9 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.532 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.18 25.98 10.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.734 0.302 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.6 mtp180 -131.11 99.21 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 23.2 m -90.55 153.74 20.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -148.92 142.04 24.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 13.5 tp -125.27 108.14 11.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -96.34 141.0 30.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -135.0 102.35 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.24 135.59 33.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 95.09 49.08 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.437 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.461 HD12 ' C ' ' A' ' 35' ' ' ALA . 15.9 mt -55.37 166.51 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.439 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.45 -76.73 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.132 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.65 -29.51 70.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -65.88 -26.93 67.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.459 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -60.45 128.89 38.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 171.82 -145.4 8.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.522 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -120.36 107.07 12.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -86.35 160.69 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.947 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.2 166.57 22.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.9 t -159.88 86.77 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 32.1 mtm -84.89 137.33 33.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 21.0 t -132.9 91.58 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 75.37 -83.54 0.87 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.17 -52.03 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.742 0.306 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -72.04 171.45 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.0 ptt180 -165.0 163.95 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.4 t -144.94 161.07 40.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.4 p -149.26 147.69 28.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -140.18 163.77 31.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.078 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.14 120.99 44.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.832 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 19.5 tp -101.39 135.5 42.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.8 m -114.97 146.91 40.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.459 HG23 ' HB2' ' A' ' 85' ' ' ALA . 61.6 t -129.99 105.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -75.01 179.29 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.38 146.59 32.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.14 160.57 6.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 113.13 3.27 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.682 2.254 . . . . 0.0 112.334 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.1 m -87.77 166.15 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.828 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 93.97 -177.16 36.69 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 164.39 34.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.733 2.289 . . . . 0.0 112.287 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.3 m -91.61 160.0 15.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.8 t -113.53 82.0 1.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.455 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 p -128.44 35.27 4.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -173.12 127.25 0.45 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.49 107.8 0.2 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.487 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -144.56 123.47 12.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.909 0.385 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -147.62 149.4 32.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.42 105.16 3.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.457 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -141.53 162.01 36.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 0.0 110.849 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.56 109.64 11.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.168 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.1 t -106.82 120.97 43.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -141.04 -176.79 4.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.079 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.3 mmt -65.2 147.23 53.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.55 144.15 39.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 55.14 -175.29 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.9 129.13 71.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -132.68 151.87 51.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -94.55 100.75 12.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.14 160.61 25.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.618 0.723 . . . . 0.0 110.927 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 146.44 60.37 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.341 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.7 mt -94.41 125.32 47.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.103 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.6 pttt -125.93 -178.59 4.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -106.55 120.7 42.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.4 p -84.05 -32.63 24.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.148 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -142.32 80.95 1.73 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.49 168.79 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.453 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.39 160.14 16.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.318 . . . . 0.0 110.946 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.6 mmm-85 -131.42 168.51 17.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -77.45 122.15 24.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.54 154.15 30.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -136.35 127.7 28.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -131.27 171.24 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.144 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -106.81 156.06 19.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.32 127.78 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.07 -25.15 25.37 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.502 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.76 -174.68 0.77 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 111.078 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.2 m -119.57 116.11 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.26 134.49 39.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.5 p -144.74 122.46 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.167 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 mt -99.01 146.9 25.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -131.96 142.28 49.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 18.6 p -151.57 148.83 28.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -111.88 154.31 25.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.11 172.62 7.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.6 p -85.59 -32.63 22.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -151.24 145.16 25.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 52.5 ttp -52.53 125.56 16.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.903 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -166.77 160.43 11.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.722 . . . . 0.0 111.091 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.76 133.87 26.61 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.673 2.249 . . . . 0.0 112.357 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 92' ' ' CYS . 32.9 m -119.15 169.76 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.149 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 75.3 mt-10 -146.54 126.63 13.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -94.59 123.7 38.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.933 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.656 ' CE2' HG23 ' A' ' 57' ' ' THR . 42.7 m95 -120.66 157.63 29.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 93.78 3.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 77.27 -77.03 1.59 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.48 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -150.42 30.7 0.67 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 0.0 110.831 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -152.69 141.61 21.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.656 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.1 OUTLIER -78.54 153.78 30.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.183 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 34.7 mt -100.32 165.83 11.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.43 167.84 12.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.714 ' CB ' HD13 ' A' ' 66' ' ' LEU . 1.2 p30 -113.79 137.94 50.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.94 178.71 22.15 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.24 -75.9 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 30.9 mtt85 -133.45 7.3 3.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 28.3 m80 -125.69 149.94 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.27 103.94 7.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.714 HD13 ' CB ' ' A' ' 60' ' ' ASP . 8.1 mp -95.96 122.47 38.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -129.04 136.83 50.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -136.45 132.97 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -127.2 84.65 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.897 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.56 -92.39 0.43 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.5 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.48 -28.67 9.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.773 0.32 . . . . 0.0 111.105 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -83.29 122.24 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.819 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.1 m -107.08 166.27 10.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -160.72 131.18 5.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.0 tp -124.51 107.32 10.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -97.24 147.68 23.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.6 mt -136.19 113.01 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 22.0 mtt85 -98.08 135.76 39.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.927 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.49 58.06 1.48 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.455 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.6 mt -62.0 168.47 3.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.901 0.381 . . . . 0.0 110.897 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.66 -76.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.99 -34.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -68.03 -26.06 65.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.99 -30.65 68.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.567 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.14 142.55 58.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 162.18 -135.23 3.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.549 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -123.39 112.2 17.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.875 0.369 . . . . 0.0 110.91 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.5 m-85 -88.08 166.46 14.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.52 167.09 23.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.926 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 1.8 t -159.68 91.24 0.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 31.2 mtm -94.94 120.99 36.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.551 ' HB2' HG12 ' A' ' 49' ' ' VAL . 42.9 t -125.35 95.04 4.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 82.6 -75.31 2.38 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.531 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.14 -54.38 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.755 0.312 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -60.92 169.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 8.8 ptt85 -165.41 141.29 5.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 3.0 t -132.58 137.38 47.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.12 144.88 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -126.5 177.77 6.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.101 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.85 102.14 6.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 48.3 tp -87.31 125.08 34.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 92.7 m -109.82 128.08 55.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG23 ' HB2' ' A' ' 85' ' ' ALA . 90.9 t -112.62 106.71 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -72.49 -175.08 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.51 151.31 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 mtm -52.0 160.57 1.14 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -171.16 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.36 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.21 -176.11 5.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.843 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.61 169.68 25.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 113.72 3.48 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.306 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.59 140.39 51.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.5 m -163.71 90.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.435 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.66 168.03 3.2 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.862 0.363 . . . . 0.0 110.863 -179.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -83.63 78.65 9.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.81 -24.19 1.96 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -147.93 102.74 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.853 0.359 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.6 p -94.4 133.4 38.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.873 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.24 84.31 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -153.86 -58.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.87 0.366 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.8 t -61.72 153.05 29.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.157 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -149.38 96.3 2.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -152.84 61.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.082 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -152.09 155.64 38.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.67 158.47 2.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.14 148.31 32.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.1 p -116.6 -27.35 2.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.174 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.26 -176.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . 57.52 59.55 3.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 mp -56.49 160.69 5.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.717 . . . . 0.0 110.939 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 176.01 7.36 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.702 2.268 . . . . 0.0 112.358 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 73.6 mt -125.64 130.19 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -133.62 -176.47 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -100.99 123.14 44.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 43.4 p -90.71 -36.01 14.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -139.05 80.65 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.14 168.53 3.1 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.46 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.2 mt -62.3 159.44 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.843 0.354 . . . . 0.0 110.925 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.34 155.6 48.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -53.31 112.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 162.41 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -145.27 147.51 32.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -145.39 165.94 27.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.141 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 32.6 m -104.28 147.9 26.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.148 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.5 140.5 45.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.46 20.63 79.49 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 32' ' ' THR . . . -116.26 -173.44 2.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 m -114.71 108.54 16.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.106 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -99.24 137.72 37.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -149.1 123.95 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.102 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.4 mt -95.18 157.07 16.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -141.17 135.69 31.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.403 ' HB3' HD23 ' A' ' 26' ' ' LEU . 20.9 p -144.25 149.47 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 47.6 tt0 -108.38 153.08 23.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.3 mt -123.63 178.63 5.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.4 t -85.93 -30.08 23.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.92 167.82 29.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.5 ttm -67.86 121.06 15.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -165.49 160.37 13.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.577 0.704 . . . . 0.0 111.145 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.72 154.86 67.4 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.716 2.278 . . . . 0.0 112.357 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.598 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.1 m -143.17 146.94 20.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.122 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -121.18 121.48 37.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 65.7 m95 -90.62 118.42 30.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.654 ' CE2' HG23 ' A' ' 57' ' ' THR . 61.9 m95 -110.58 157.67 19.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.48 94.2 3.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.62 -73.42 1.87 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.537 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -154.87 34.28 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -152.82 145.36 24.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.654 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -83.27 141.96 31.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 69.9 mt -92.87 154.09 18.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 -113.68 173.22 6.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.717 ' CB ' HD13 ' A' ' 66' ' ' LEU . 3.8 p-10 -114.0 130.96 56.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.51 -178.02 19.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.31 -75.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.799 0.333 . . . . 0.0 110.816 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -132.11 7.28 4.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -130.82 153.01 49.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.99 103.85 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.8 mp -87.04 123.03 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -125.86 150.43 47.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.882 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -152.32 141.67 21.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -135.37 82.58 1.96 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.78 -95.01 1.1 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -108.16 -25.66 10.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.108 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 21.8 mtt180 -84.46 121.8 28.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.1 m -103.49 163.55 12.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -158.16 130.44 7.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 15.1 tp -120.39 107.42 12.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -94.66 146.09 24.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.3 mt -130.5 106.29 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -88.17 138.01 31.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 79.82 63.38 2.0 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 81' ' ' VAL . 16.5 mt -61.41 171.7 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.334 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.449 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -165.51 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 179.93 -34.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -64.1 -30.7 71.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -62.13 -28.57 69.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.841 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.69 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -64.42 133.34 52.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.72 -143.31 8.32 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.478 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -111.52 106.7 15.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.886 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -85.55 122.41 29.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.886 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.99 167.15 9.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -163.4 106.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 12.6 mtm -104.99 123.49 47.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.598 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.8 t -125.3 93.16 3.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 86.49 -81.52 1.69 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.505 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -130.56 -44.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.931 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 36.0 mm-40 -70.72 172.92 7.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.15 138.63 4.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.5 t -122.73 134.27 54.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 24.7 p -118.17 141.41 48.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.835 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.406 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -135.33 172.36 13.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.28 120.91 35.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.6 tp -102.54 127.6 49.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 17.5 m -105.11 132.97 50.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG23 ' HB2' ' A' ' 85' ' ' ALA . 48.0 t -117.83 111.54 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.102 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.9 mtm180 -76.65 -174.02 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -114.25 140.96 48.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -55.68 160.61 3.92 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.595 0.712 . . . . 0.0 110.845 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 151.15 68.55 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.65 2.234 . . . . 0.0 112.305 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.1 92.85 2.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.98 175.05 34.48 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 119.43 6.37 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.668 2.245 . . . . 0.0 112.356 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.27 154.72 30.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.94 31.84 5.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.506 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m 55.67 44.99 25.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.843 0.354 . . . . 0.0 110.847 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.72 139.0 4.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.19 96.19 0.16 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -152.27 167.22 29.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.52 -170.52 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.55 -174.64 24.02 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.46 176.34 5.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.3 p -55.84 169.14 0.38 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.83 -50.96 1.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -169.93 171.19 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.082 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.9 72.45 0.97 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 mp -55.92 161.6 2.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 59.88 98.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.4 t -62.49 -68.4 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.142 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -127.15 -60.88 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.52 -169.86 3.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.73 158.66 31.44 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.581 0.705 . . . . 0.0 110.944 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 177.23 5.77 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.704 2.269 . . . . 0.0 112.33 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.6 mt -128.58 143.51 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -134.85 -178.21 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -104.17 113.07 26.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.9 p -79.4 -28.22 41.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.102 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -151.27 75.73 1.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.92 171.46 0.87 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 11.2 mt -57.4 156.42 7.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 110.887 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -132.09 156.75 45.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -54.49 110.59 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.535 ' O ' HD12 ' A' ' 101' ' ' LEU . 1.3 tt0 -111.69 130.91 55.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -118.23 135.88 53.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.14 16.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -101.86 153.49 19.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.71 129.68 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 93.08 -23.54 28.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -173.81 1.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.8 m -119.89 120.38 36.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -96.52 131.28 43.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.2 t -138.72 103.38 2.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 mt -84.52 152.75 23.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -144.53 142.01 29.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 20.9 p -136.99 169.07 18.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -130.06 137.32 50.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.1 mt -112.44 174.3 5.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -30.06 35.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.9 tttt -151.62 149.33 29.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.7 ttm -54.4 129.87 37.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.573 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -170.72 160.41 5.84 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.564 0.697 . . . . 0.0 111.085 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.573 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.4 Cg_endo -69.77 148.36 64.84 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.702 2.268 . . . . 0.0 112.299 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.524 HG12 ' HB2' ' A' ' 92' ' ' CYS . 29.3 m -137.31 160.51 35.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -135.86 127.12 28.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.583 ' HB3' HD12 ' A' ' 58' ' ' LEU . 57.8 m95 -91.04 123.81 34.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.928 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.443 ' CE2' HG23 ' A' ' 57' ' ' THR . 49.8 m95 -112.99 160.88 17.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.405 ' HB2' HD21 ' A' ' 58' ' ' LEU . 38.0 tttm -141.65 95.17 2.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 -88.0 0.22 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.427 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 -136.85 40.59 2.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.782 0.325 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -163.94 144.23 8.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.443 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -80.08 162.67 24.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.104 -179.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.583 HD12 ' HB3' ' A' ' 51' ' ' TRP . 42.0 mt -111.64 131.86 54.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -93.02 176.89 6.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.544 ' CB ' HD13 ' A' ' 66' ' ' LEU . 9.9 p-10 -115.64 131.22 57.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 108.93 -177.61 20.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 69.18 -75.82 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.797 0.332 . . . . 0.0 110.903 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -132.85 7.3 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 26.0 m80 -129.39 163.24 26.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.84 106.54 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.544 HD13 ' CB ' ' A' ' 60' ' ' ASP . 9.7 mp -93.45 121.07 34.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 30.8 mtt180 -126.37 144.5 50.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -142.23 142.19 32.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -144.86 82.95 1.69 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.21 -117.85 5.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.492 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -99.66 26.03 6.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.815 0.34 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -132.81 100.9 5.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 24.0 m -96.27 160.19 14.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -160.44 155.99 25.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 12.3 tp -135.09 116.91 15.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -97.59 145.81 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -138.36 110.79 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 34.7 mtt-85 -95.69 133.7 39.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 96.04 53.64 1.48 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.448 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.7 mt -61.35 165.95 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.864 0.364 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.83 -76.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.99 -34.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -71.82 -27.31 62.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -61.29 -31.22 71.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.88 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.88 159.16 17.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 151.01 -137.39 6.03 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -117.15 105.85 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -91.98 134.08 35.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.928 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.13 171.95 7.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . 0.411 ' HB2' HD11 ' A' ' 26' ' ' LEU . 9.3 t -165.71 93.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.0 mtm -93.66 137.24 33.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.524 ' HB2' HG12 ' A' ' 49' ' ' VAL . 43.8 t -131.24 94.98 3.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.886 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.95 -78.92 1.03 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.67 -54.07 1.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.52 176.36 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 2.4 ptt-85 -167.57 159.09 11.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.7 t -143.49 150.63 39.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.2 p -137.18 131.39 32.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.491 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -125.58 173.83 8.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -121.49 121.73 38.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.535 HD12 ' O ' ' A' ' 29' ' ' GLU . 36.4 tp -98.34 138.45 35.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 10.3 m -118.39 140.95 49.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.185 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.3 t -130.89 104.97 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.119 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 57.7 mmm-85 -70.56 -174.75 0.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -107.24 145.6 32.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 mtp -55.07 160.58 3.03 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.554 0.692 . . . . 0.0 110.914 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 116.33 4.51 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.342 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.6 t -60.68 -51.69 68.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 131.66 -173.54 20.48 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.48 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 165.33 31.36 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.666 2.244 . . . . 0.0 112.325 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.4 t -146.62 73.68 1.33 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.899 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.6 m 54.19 60.01 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.537 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.56 104.58 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -118.0 -171.55 2.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.03 57.79 1.13 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -127.31 148.11 50.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.862 0.363 . . . . 0.0 110.869 -179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -168.18 148.25 4.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.32 -135.58 1.86 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.58 170.62 12.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 74.8 p -129.41 131.02 46.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 m -143.2 36.42 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.62 146.6 40.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -179.13 -35.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tp 58.86 -178.9 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.939 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.3 p -108.29 144.4 35.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.122 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 50.2 t -108.16 139.04 31.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -174.69 -36.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -148.93 114.86 5.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.39 159.25 75.28 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 166.78 26.54 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.686 2.257 . . . . 0.0 112.319 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 57.5 mt -131.67 132.77 62.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 ptpt -121.82 -173.68 2.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' CZ ' HD21 ' A' ' 43' ' ' LEU . 8.5 m-85 -106.83 123.75 48.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.885 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.0 p -84.68 -36.58 21.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -141.32 76.41 1.54 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.53 163.73 2.57 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.4 HD12 HG23 ' A' ' 97' ' ' THR . 20.4 mt -59.5 155.03 15.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.773 0.321 . . . . 0.0 110.93 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -127.83 148.36 50.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -54.36 115.91 2.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.8 163.95 13.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -147.71 138.72 23.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -138.4 171.23 14.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.8 m -104.52 152.64 22.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.092 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -56.43 129.84 42.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.83 -25.79 21.76 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.27 -171.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.889 0.376 . . . . 0.0 111.122 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 67.2 m -122.81 114.53 20.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.161 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -95.61 130.29 42.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.084 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.34 124.08 34.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.098 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD11 HD23 ' A' ' 101' ' ' LEU . 5.2 mt -97.84 143.0 28.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.2 mtm180 -132.18 142.29 49.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 19.6 p -153.21 151.85 30.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -114.07 156.61 23.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 HD21 ' CZ ' ' A' ' 22' ' ' PHE . 12.0 mt -124.6 169.08 12.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -78.49 -36.23 45.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 38.5 tttt -149.14 143.14 25.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 31.8 ttm -52.39 124.45 13.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -161.6 160.45 23.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.555 0.693 . . . . 0.0 111.059 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.8 Cg_endo -69.75 127.83 15.16 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.697 2.265 . . . . 0.0 112.354 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 92' ' ' CYS . 33.6 m -118.78 166.56 13.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -141.87 125.25 16.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 79.3 m95 -90.94 121.49 32.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 55.1 m95 -117.5 159.84 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -134.69 93.69 3.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.98 -74.01 1.44 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.0 p-80 -153.51 34.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.772 0.32 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -154.32 148.56 25.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -83.19 152.33 25.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.6 mt -103.7 165.06 11.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 -119.54 170.01 9.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.698 ' CB ' HD13 ' A' ' 66' ' ' LEU . 5.9 p-10 -118.13 119.67 35.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 129.97 175.81 14.18 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.25 -75.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.804 0.335 . . . . 0.0 110.859 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -132.11 7.35 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.6 m80 -123.51 141.1 52.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.29 106.27 10.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.866 -179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD13 ' CB ' ' A' ' 60' ' ' ASP . 7.0 mp -100.71 113.21 25.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -122.12 136.1 54.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -137.38 115.76 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.12 85.13 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 71.46 -105.83 1.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.469 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.49 27.92 8.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 111.092 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -135.51 107.09 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 25.4 m -97.7 154.41 17.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -152.31 122.59 7.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.9 tp -118.27 108.24 14.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -100.45 146.6 26.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.2 mt -129.44 104.27 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.097 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -86.98 130.76 34.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.98 55.65 1.59 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' O ' HG13 ' A' ' 81' ' ' VAL . 14.1 mt -56.78 167.61 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 80' ' ' LEU . 0.0 OUTLIER -163.47 -76.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.884 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -179.93 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.095 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -67.96 -26.99 66.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.71 -34.04 73.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.427 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -59.76 141.14 55.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 163.21 -142.7 8.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.498 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -118.17 102.5 9.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -85.78 124.34 32.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.18 161.48 14.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.932 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 2.0 t -152.92 88.4 1.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 21.0 mtm -86.0 135.43 33.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.435 ' HB2' HG12 ' A' ' 49' ' ' VAL . 41.2 t -133.35 92.22 2.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.856 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 72.7 -79.79 0.69 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.484 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -121.72 -51.09 2.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.763 0.316 . . . . 0.0 110.851 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.44 157.86 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 3.9 ptt85 -153.69 157.21 39.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.4 HG23 HD12 ' A' ' 26' ' ' LEU . 15.3 t -139.36 151.96 46.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.02 145.59 50.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -133.17 166.39 22.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.41 112.98 24.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.688 HD23 HD11 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -97.05 120.55 37.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.9 m -112.27 144.54 41.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.427 HG23 ' HB2' ' A' ' 85' ' ' ALA . 47.0 t -131.28 108.09 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.4 mmt180 -69.82 -179.98 2.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.0 145.24 31.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 mtt -52.09 160.61 1.16 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.55 0.691 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.11 22.76 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.658 2.239 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 34.2 p -171.65 -42.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 133.14 -171.57 21.77 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 90.15 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.288 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.2 m -150.65 65.59 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 80.7 p -114.5 127.93 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.501 -179.958 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t 52.09 77.49 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.8 m -158.49 114.94 2.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.823 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.18 169.2 31.45 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m 62.12 -176.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.91 -64.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.71 73.0 0.47 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.492 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.29 96.22 7.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.867 0.365 . . . . 0.0 110.84 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.7 p -118.25 40.75 3.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.138 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.58 106.94 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -160.49 114.03 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.097 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 61.98 174.32 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.4 mp -129.23 75.5 1.65 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.7 p -130.78 118.8 21.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.166 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 p -162.64 136.92 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -65.98 0.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -175.92 78.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.72 160.68 33.78 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.606 0.717 . . . . 0.0 110.926 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 152.31 69.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.727 2.285 . . . . 0.0 112.298 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.9 mt -108.45 130.81 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -112.41 -178.9 3.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.05 127.56 55.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.9 p -93.54 -37.97 11.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.132 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -138.47 72.65 1.41 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 163.35 13.29 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 39' ' ' LEU . 19.8 mt -55.29 150.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.768 0.318 . . . . 0.0 110.9 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.0 mtt85 -130.94 157.97 41.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -53.76 109.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -105.76 150.74 25.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -132.33 133.27 43.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -130.73 170.05 14.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 m -106.18 143.55 34.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -52.87 127.97 25.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 85.15 20.76 56.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -118.31 -171.65 2.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.4 m -119.26 116.94 27.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.175 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -109.89 145.21 37.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.9 p -148.38 124.79 2.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 26' ' ' LEU . 3.5 mt -96.9 115.8 28.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.9 mtp180 -110.48 150.97 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 27.6 p -148.93 157.05 43.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -110.85 146.27 36.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mt -121.51 157.24 31.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.95 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.18 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.835 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -151.09 145.03 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.0 ttm -55.82 136.93 50.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.858 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -177.4 160.41 1.41 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.555 0.693 . . . . 0.0 111.104 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.2 Cg_endo -69.76 143.82 52.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.681 2.254 . . . . 0.0 112.357 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.684 HG12 ' HB2' ' A' ' 92' ' ' CYS . 35.3 m -129.03 155.0 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.115 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.3 mp0 -126.25 123.16 37.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.898 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.405 ' HB3' HD12 ' A' ' 58' ' ' LEU . 79.7 m95 -93.04 124.13 36.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.56 ' CE2' HG23 ' A' ' 57' ' ' THR . 53.6 m95 -121.77 144.67 48.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.517 ' CB ' HD21 ' A' ' 58' ' ' LEU . 37.4 tttm -133.81 95.97 3.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 68.76 61.66 4.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.492 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 53.36 39.04 29.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.765 0.317 . . . . 0.0 110.852 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -145.82 138.71 25.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.56 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -87.34 124.12 33.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.517 HD21 ' CB ' ' A' ' 53' ' ' LYS . 16.7 mt -81.55 179.43 7.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.8 176.21 9.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -98.52 119.12 36.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -145.9 -163.96 10.57 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.439 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -69.21 -44.27 72.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.875 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.6 mtm180 -71.89 -47.0 55.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -103.56 120.26 40.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.49 109.13 19.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.814 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.587 ' HG ' HD13 ' A' ' 75' ' ' LEU . 8.8 mp -97.84 121.11 39.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 29.3 mtp180 -127.32 141.42 51.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 129.8 30.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -139.93 97.48 3.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 64.7 -119.22 14.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.32 26.74 7.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 0.0 111.124 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -131.52 100.6 5.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 26.8 m -100.04 147.68 25.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -152.86 138.87 18.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD13 ' HG ' ' A' ' 66' ' ' LEU . 13.5 tp -125.26 107.85 11.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -86.16 140.48 30.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 3.8 mt -130.33 114.46 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -103.71 133.48 48.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.83 25.97 4.62 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.586 HD11 ' CB ' ' A' ' 37' ' ' ALA . 92.4 mt -56.61 102.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.828 0.347 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.519 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 10.0 p -127.35 -38.0 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.134 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.519 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.72 -29.4 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.176 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 75.0 mt-10 -81.8 -31.96 31.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.577 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.7 m-20 -62.95 -25.85 68.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.576 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -70.79 139.98 51.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.07 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 161.77 -163.5 34.73 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.506 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -106.78 114.04 27.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.829 0.347 . . . . 0.0 110.837 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -91.48 163.3 14.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.971 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -133.91 175.06 9.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 4.0 t -166.08 81.87 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.8 mtm -84.64 110.0 18.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . 0.684 ' HB2' HG12 ' A' ' 49' ' ' VAL . 39.7 t -104.51 101.59 11.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 64.05 -93.13 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.0 mttt -106.21 -41.31 5.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.888 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -77.88 174.77 10.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.94 150.04 6.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -143.55 136.86 27.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.12 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -126.94 156.13 42.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' A' ' 26' ' ' LEU . . . -144.07 175.5 10.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -120.85 129.47 53.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.94 146.96 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 m -122.66 143.95 49.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.124 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 85' ' ' ALA . 95.6 t -127.14 103.86 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 50.3 mmm-85 -68.59 -177.56 0.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -108.5 137.79 45.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.086 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 mtm -52.67 160.62 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.608 0.718 . . . . 0.0 110.822 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.68 2.253 . . . . 0.0 112.375 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 t -56.68 142.37 40.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -90.06 179.35 43.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.532 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 90.64 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.691 2.26 . . . . 0.0 112.329 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.27 -59.7 1.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.826 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 10.2 p -171.13 126.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.52 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -122.43 152.08 40.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.873 0.368 . . . . 0.0 110.855 -179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.23 -45.81 83.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.59 94.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.4 p -168.37 179.4 4.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 0.0 110.853 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.97 -177.1 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.89 -50.02 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 -99.49 77.16 2.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.892 0.377 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 t -116.86 30.86 7.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.23 123.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.15 92.61 0.58 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -116.54 153.13 32.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.77 162.14 35.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -63.29 163.63 10.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -174.35 140.05 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 27.4 mmt180 -108.65 81.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.78 125.25 47.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.065 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 63.05 160.63 0.12 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.597 0.713 . . . . 0.0 110.917 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -179.41 2.85 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.719 2.28 . . . . 0.0 112.371 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.2 mt -135.01 144.57 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.116 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -130.05 -175.47 3.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -105.4 128.75 53.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 p -97.26 -37.22 10.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -134.78 71.05 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.87 169.19 1.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.454 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.477 ' HB2' ' HB2' ' A' ' 99' ' ' ALA . 10.3 mt -56.58 177.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.803 0.335 . . . . 0.0 110.894 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.0 153.89 33.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.71 108.97 0.72 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -112.25 148.49 34.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -129.31 131.8 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.64 170.87 12.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.111 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.6 m -99.09 146.82 25.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.64 134.23 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 82.13 21.4 60.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.46 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.415 ' O ' HD12 ' A' ' 80' ' ' LEU . . . -125.23 -171.92 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.6 m -113.75 133.37 55.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.132 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.573 ' CB ' HD11 ' A' ' 80' ' ' LEU . . . -130.56 124.14 31.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 75' ' ' LEU . 6.6 p -121.83 123.23 68.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.127 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD22 HD22 ' A' ' 26' ' ' LEU . 3.7 mt -81.8 144.22 31.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.72 138.5 51.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 6.9 p -154.54 132.82 11.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -111.08 163.27 14.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD11 ' CG1' ' A' ' 49' ' ' VAL . 9.4 mt -127.62 175.83 7.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.95 -28.98 29.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.28 152.01 27.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.892 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.4 ttp -52.17 128.93 26.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.571 ' HB1' ' HD2' ' A' ' 48' ' ' PRO . . . -175.57 160.44 2.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.57 0.7 . . . . 0.0 111.129 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HD2' ' HB1' ' A' ' 47' ' ' ALA . 53.6 Cg_endo -69.78 142.86 48.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.691 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.563 ' CG1' HD11 ' A' ' 43' ' ' LEU . 22.7 m -128.45 155.85 40.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.2 mp0 -128.21 125.5 39.11 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.554 ' CD2' HD22 ' A' ' 75' ' ' LEU . 90.3 m95 -88.89 131.62 35.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.413 ' CE2' HG23 ' A' ' 57' ' ' THR . 78.1 m95 -132.35 135.57 46.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB3' HD21 ' A' ' 58' ' ' LEU . 0.8 OUTLIER -132.68 94.19 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 74.74 54.97 5.63 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 57.56 29.4 17.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.793 0.33 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 -135.91 139.76 43.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.413 HG23 ' CE2' ' A' ' 52' ' ' TRP . 0.2 OUTLIER -86.95 131.7 34.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 -179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.434 HD12 ' HB3' ' A' ' 51' ' ' TRP . 47.0 mt -88.06 151.78 22.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.45 164.4 14.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.713 ' HB3' HD13 ' A' ' 66' ' ' LEU . 1.5 p30 -102.6 137.25 41.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.854 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.47 -134.55 1.93 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.518 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -86.61 -63.16 1.36 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.0 mtm180 -52.15 -31.38 31.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -129.52 139.3 51.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.667 ' O ' HD12 ' A' ' 75' ' ' LEU . 0.4 OUTLIER -122.7 137.23 54.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 60' ' ' ASP . 7.8 mp -121.28 130.44 53.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.883 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 16.9 mtp180 -133.65 136.78 45.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -136.57 125.4 24.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -131.68 83.6 2.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.3 -97.91 0.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.468 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -104.62 -28.49 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.771 0.32 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtm180 -84.28 120.24 26.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 22.7 m -114.41 156.63 24.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -148.29 143.45 26.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.667 HD12 ' O ' ' A' ' 65' ' ' SER . 29.8 tp -138.55 106.47 5.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -86.04 142.51 28.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 4.5 mt -129.44 98.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 67.6 mtm180 -90.18 133.46 34.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 111.85 30.22 3.07 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.514 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' A' ' 37' ' ' ALA . 37.6 mt -61.81 102.75 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.9 0.381 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.512 ' O ' ' HB2' ' A' ' 82' ' ' ALA . 9.7 p -127.48 -38.15 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 81' ' ' VAL . . . 172.67 -29.42 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.107 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -30.88 34.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.56 ' CB ' HD23 ' A' ' 80' ' ' LEU . 87.4 m-20 -63.26 -26.2 68.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.837 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.717 ' HB2' HG23 ' A' ' 103' ' ' VAL . . . -72.72 156.33 39.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.08 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 140.75 -165.14 26.24 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -98.8 120.2 38.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.843 0.354 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -97.3 165.23 12.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.957 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -146.05 166.44 26.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' CYS . . . . . . . . . . . . . 3.1 t -160.74 91.73 0.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 14.2 mtm -87.94 137.63 32.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' CYS . . . . . . . . . . . . . 41.2 t -132.51 91.58 2.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 74.92 -75.46 1.29 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.54 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 mtmt -124.96 -52.01 1.67 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.322 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -73.82 175.07 7.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.14 172.38 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -151.67 138.3 18.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.03 161.74 26.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.838 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HB2' ' HB2' ' A' ' 26' ' ' LEU . . . -154.27 164.49 38.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.26 116.87 31.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 5.5 tp -99.53 138.17 36.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 38.1 m -122.21 146.31 47.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.717 HG23 ' HB2' ' A' ' 85' ' ' ALA . 86.4 t -125.47 104.25 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -66.23 178.71 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -111.14 138.57 47.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.138 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.63 160.58 5.35 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.527 0.68 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 137.75 36.3 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.331 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 82.4 p -101.88 49.73 0.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 163.82 -170.58 39.18 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.454 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -176.02 1.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.68 2.254 . . . . 0.0 112.35 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -155.56 -44.47 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -63.65 139.35 58.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 -179.957 . . . . . . . . 0 0 . 1 stop_ save_